[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine

C26H33F3N4O3 — CID 143594614

IUPAC[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine
SMILESCC(c1ccc(C(=O)N(C2CC2)C2CCC(C)(COC(N)=O)CC2)cc1)C(F)(F)F.c1cncnc1
InChIInChI=1S/C22H29F3N2O3.C4H4N2/c1-14(22(23,24)25)15-3-5-16(6-4-15)19(28)27(17-7-8-17)18-9-11-21(2,12-10-18)13-30-20(26)29;1-2-5-4-6-3-1/h3-6,14,17-18H,7-13H2,1-2H3,(H2,26,29);1-4H
InChIKeyPZSBEBZBEQVGNC-UHFFFAOYSA-N
MW506.57 g/mol
LogP5.48
Rot. Bonds6

About [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine

[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine (PubChem CID 143594614) has the molecular formula C26H33F3N4O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine.

Molecular Properties

Compound Name[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine
PubChem CID143594614
Molecular FormulaC26H33F3N4O3
Molecular Weight506.57 g/mol
Exact Mass506.25
IUPAC Name[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine
SMILESCC(c1ccc(C(=O)N(C2CC2)C2CCC(C)(COC(N)=O)CC2)cc1)C(F)(F)F.c1cncnc1
InChIInChI=1S/C22H29F3N2O3.C4H4N2/c1-14(22(23,24)25)15-3-5-16(6-4-15)19(28)27(17-7-8-17)18-9-11-21(2,12-10-18)13-30-20(26)29;1-2-5-4-6-3-1/h3-6,14,17-18H,7-13H2,1-2H3,(H2,26,29);1-4H
InChIKeyPZSBEBZBEQVGNC-UHFFFAOYSA-N
XLogP5.48
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine 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

N-cyclohexyl-2-fluoro-4-((S)-1-(4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-ylamino)ethyl)benzamide
CID 71542187
N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 89489940
N-(4,4-difluorocyclohexyl)-2-fluoro-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 89489944
4-[(2S)-2-(dimethylamino)-3-[3-(pyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamido]propyl]-2-fluorobenzamide
CID 166025501
N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59030515
[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyrimidin-2-ylcyclohexyl]methyl carbamate
CID 59030561
[4-[Cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyrimidin-2-ylcyclohexyl]methyl carbamate
CID 69457553
N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 69457868
2-[4-[cyclopropyl-[4-[(2R)-1,1,1-trifluoropropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate
CID 71146733
[4-[cyclopropyl-[4-[(2R)-1,1,1-trifluoropropan-2-yl]benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
CID 71146801
2-[4-[Cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]ethyl carbamate
CID 78033655
[4-[Cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
CID 78033676

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine?
The IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine (CID 143594614) is [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine.
What is the SMILES notation for [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine?
The canonical SMILES for [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine is CC(c1ccc(C(=O)N(C2CC2)C2CCC(C)(COC(N)=O)CC2)cc1)C(F)(F)F.c1cncnc1.
What is the InChIKey of [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine?
The InChIKey is PZSBEBZBEQVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3.C4H4N2/c1-14(22(23,24)25)15-3-5-16(6-4-15)19(28)27(17-7-8-17)18-9-11-21(2,12-10-18)13-30-20(26)29;1-2-5-4-6-3-1/h3-6,14,17-18H,7-13H2,1-2H3,(H2,26,29);1-4H.
What are the key properties of [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine?
[4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine has a molecular weight of 506.57 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]-1-methylcyclohexyl]methyl carbamate;pyrimidine is sourced from PubChem (CID 143594614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).