2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide

C20H32N4O2 — CID 162160086

IUPAC2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(C[C@@H]3CCC[C@H](O)C3)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-13-6-8-15(9-7-13)23-20-22-12-17(19(21)26)18(24-20)11-14-4-3-5-16(25)10-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13?,14-,15?,16+/m1/s1
InChIKeyWZHVYSHFFVXTGR-KNIAUWFNSA-N
MW360.50 g/mol
LogP3.05
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide

2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide (PubChem CID 162160086) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
PubChem CID162160086
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(C[C@@H]3CCC[C@H](O)C3)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-13-6-8-15(9-7-13)23-20-22-12-17(19(21)26)18(24-20)11-14-4-3-5-16(25)10-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13?,14-,15?,16+/m1/s1
InChIKeyWZHVYSHFFVXTGR-KNIAUWFNSA-N
XLogP3.05
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 157295548
2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
CID 161486885
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
2-[(4-ethoxycyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycycloheptyl]methyl]pyrimidine-5-carbonitrile
CID 158325105
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
cis-(1S,3S)-3-[[2-[(4-ethoxycyclohexyl)amino]-5-ethynylpyrimidin-4-yl]methyl]cycloheptan-1-ol
CID 157154524
4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 78044523
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide (CID 162160086) is 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide is CCC1CCC(Nc2ncc(C(N)=O)c(C[C@@H]3CCC[C@H](O)C3)n2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WZHVYSHFFVXTGR-KNIAUWFNSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-2-13-6-8-15(9-7-13)23-20-22-12-17(19(21)26)18(24-20)11-14-4-3-5-16(25)10-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13?,14-,15?,16+/m1/s1.
What are the key properties of 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162160086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).