2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide

C20H34N4O — CID 161486885

IUPAC2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(CC(C)(C)C(C)C)n2)CC1
InChIInChI=1S/C20H34N4O/c1-6-14-7-9-15(10-8-14)23-19-22-12-16(18(21)25)17(24-19)11-20(4,5)13(2)3/h12-15H,6-11H2,1-5H3,(H2,21,25)(H,22,23,24)
InChIKeyKFGZZSZUXMDVRM-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.18
Rot. Bonds7

About 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide

2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide (PubChem CID 161486885) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
PubChem CID161486885
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(CC(C)(C)C(C)C)n2)CC1
InChIInChI=1S/C20H34N4O/c1-6-14-7-9-15(10-8-14)23-19-22-12-16(18(21)25)17(24-19)11-20(4,5)13(2)3/h12-15H,6-11H2,1-5H3,(H2,21,25)(H,22,23,24)
InChIKeyKFGZZSZUXMDVRM-UHFFFAOYSA-N
XLogP4.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 157295548
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide (CID 161486885) is 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide is CCC1CCC(Nc2ncc(C(N)=O)c(CC(C)(C)C(C)C)n2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide?
The InChIKey is KFGZZSZUXMDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-6-14-7-9-15(10-8-14)23-19-22-12-16(18(21)25)17(24-19)11-20(4,5)13(2)3/h12-15H,6-11H2,1-5H3,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide?
2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 161486885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).