4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

C18H29N5O3 — CID 71236629

IUPAC4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2nc(NC3CCOCC3)ncc2C(N)=O)CC1
InChIInChI=1S/C18H29N5O3/c1-2-26-14-5-3-12(4-6-14)21-17-15(16(19)24)11-20-18(23-17)22-13-7-9-25-10-8-13/h11-14H,2-10H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyYUSLCSZJCZALBK-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.93
Rot. Bonds7

About 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (PubChem CID 71236629) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
PubChem CID71236629
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2nc(NC3CCOCC3)ncc2C(N)=O)CC1
InChIInChI=1S/C18H29N5O3/c1-2-26-14-5-3-12(4-6-14)21-17-15(16(19)24)11-20-18(23-17)22-13-7-9-25-10-8-13/h11-14H,2-10H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyYUSLCSZJCZALBK-UHFFFAOYSA-N
XLogP1.93
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
CID 71237764
2-[(4-ethoxycyclohexyl)amino]-4-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 71237568
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
2-[(4-ethoxycyclohexyl)amino]-4-(oxan-4-ylamino)pyrimidine-5-carbonitrile
CID 71238805
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
ethyl 4-[[5-amino-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]-1-methylcyclohexane-1-carboxylate
CID 126569396

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (CID 71236629) is 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is CCOC1CCC(Nc2nc(NC3CCOCC3)ncc2C(N)=O)CC1.
What is the InChIKey of 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The InChIKey is YUSLCSZJCZALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-2-26-14-5-3-12(4-6-14)21-17-15(16(19)24)11-20-18(23-17)22-13-7-9-25-10-8-13/h11-14H,2-10H2,1H3,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71236629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).