4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide

C26H31N5O2 — CID 118724788

IUPAC4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)nc(NCC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-21(23)17-28-24-15-22(19-7-3-2-4-8-19)30-26(31-24)29-16-18-11-13-20(14-12-18)25(27)32/h2-10,15,18,20H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)
InChIKeyOGEBNCUUWACNHB-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.47
Rot. Bonds9

About 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide

4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 118724788) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID118724788
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)nc(NCC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-21(23)17-28-24-15-22(19-7-3-2-4-8-19)30-26(31-24)29-16-18-11-13-20(14-12-18)25(27)32/h2-10,15,18,20H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)
InChIKeyOGEBNCUUWACNHB-UHFFFAOYSA-N
XLogP4.47
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4(3H)-one
CID 2880309
N-(4-fluorophenyl)-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 3234968
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 11502665

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide (CID 118724788) is 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide is COc1ccccc1CNc1cc(-c2ccccc2)nc(NCC2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is OGEBNCUUWACNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-21(23)17-28-24-15-22(19-7-3-2-4-8-19)30-26(31-24)29-16-18-11-13-20(14-12-18)25(27)32/h2-10,15,18,20H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31).
What are the key properties of 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[(2-methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 118724788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).