[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide

C45H48F3N7O3 — CID 86627989

IUPAC[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc2cc(-c3ccnc(C4CCC(CN)CC4)n3)ccc2c1.COc1ccc2cc(-c3ccnc(N4CCC(CNC(=O)C(F)(F)F)CC4)n3)ccc2c1
InChIInChI=1S/C23H23F3N4O2.C22H25N3O/c1-32-19-5-4-16-12-18(3-2-17(16)13-19)20-6-9-27-22(29-20)30-10-7-15(8-11-30)14-28-21(31)23(24,25)26;1-26-20-9-8-17-12-19(7-6-18(17)13-20)21-10-11-24-22(25-21)16-4-2-15(14-23)3-5-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,28,31);6-13,15-16H,2-5,14,23H2,1H3
InChIKeyKEEMUNSUNVZSCV-UHFFFAOYSA-N
MW791.92 g/mol
LogP8.74
Rot. Bonds9

About [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide

[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 86627989) has the molecular formula C45H48F3N7O3 and a molecular weight of 791.92 g/mol. Its IUPAC name is [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
PubChem CID86627989
Molecular FormulaC45H48F3N7O3
Molecular Weight791.92 g/mol
Exact Mass791.38
IUPAC Name[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc2cc(-c3ccnc(C4CCC(CN)CC4)n3)ccc2c1.COc1ccc2cc(-c3ccnc(N4CCC(CNC(=O)C(F)(F)F)CC4)n3)ccc2c1
InChIInChI=1S/C23H23F3N4O2.C22H25N3O/c1-32-19-5-4-16-12-18(3-2-17(16)13-19)20-6-9-27-22(29-20)30-10-7-15(8-11-30)14-28-21(31)23(24,25)26;1-26-20-9-8-17-12-19(7-6-18(17)13-20)21-10-11-24-22(25-21)16-4-2-15(14-23)3-5-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,28,31);6-13,15-16H,2-5,14,23H2,1H3
InChIKeyKEEMUNSUNVZSCV-UHFFFAOYSA-N
XLogP8.74
TPSA128.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.92
LogP ≤ 58.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(2-Fluoro-4-methylphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54583296
6-isoquinolin-5-yl-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11668164
(4-(Isoquinolin-3-yl)piperazin-1-yl)(5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)methanone
CID 54580296
(5-(4-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 54586174
(5-(3-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 54587149
2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098978
2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 119098980
N-[4-({4-[5-(3-methoxyphenyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenyl]acetamide
CID 42472444
US10568876, Example 109
CID 130467191
(S)-5-isopropyl-1-(2-(((S)-1-(6-methoxynaphthalen-2-yl)ethyl)amino)pyrimidin-4-yl)imidazolidine-2-one
CID 130469644
US9815796, Example 84
CID 139268015
N-[2-[3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]propan-2-yl]acetamide
CID 163290761

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide (CID 86627989) is [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide is COc1ccc2cc(-c3ccnc(C4CCC(CN)CC4)n3)ccc2c1.COc1ccc2cc(-c3ccnc(N4CCC(CNC(=O)C(F)(F)F)CC4)n3)ccc2c1.
What is the InChIKey of [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is KEEMUNSUNVZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2.C22H25N3O/c1-32-19-5-4-16-12-18(3-2-17(16)13-19)20-6-9-27-22(29-20)30-10-7-15(8-11-30)14-28-21(31)23(24,25)26;1-26-20-9-8-17-12-19(7-6-18(17)13-20)21-10-11-24-22(25-21)16-4-2-15(14-23)3-5-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,28,31);6-13,15-16H,2-5,14,23H2,1H3.
What are the key properties of [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
[4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 791.92 g/mol, XLogP of 8.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]cyclohexyl]methanamine;2,2,2-trifluoro-N-[[1-[4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 86627989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).