4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C17H27N5O2 — CID 71244293

IUPAC4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCC1CC(Nc2nc(NC3CCC(O)CC3)ncc2C(N)=O)C1
InChIInChI=1S/C17H27N5O2/c1-2-10-7-12(8-10)20-16-14(15(18)24)9-19-17(22-16)21-11-3-5-13(23)6-4-11/h9-13,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyWHNSNWCVQAZMLQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.89
Rot. Bonds6

About 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71244293) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71244293
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCC1CC(Nc2nc(NC3CCC(O)CC3)ncc2C(N)=O)C1
InChIInChI=1S/C17H27N5O2/c1-2-10-7-12(8-10)20-16-14(15(18)24)9-19-17(22-16)21-11-3-5-13(23)6-4-11/h9-13,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyWHNSNWCVQAZMLQ-UHFFFAOYSA-N
XLogP1.89
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 78044523
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 66576165
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71244293) is 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is CCC1CC(Nc2nc(NC3CCC(O)CC3)ncc2C(N)=O)C1.
What is the InChIKey of 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is WHNSNWCVQAZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-10-7-12(8-10)20-16-14(15(18)24)9-19-17(22-16)21-11-3-5-13(23)6-4-11/h9-13,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71244293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).