2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide

C17H29N5O2 — CID 71238055

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCCC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C17H29N5O2/c1-4-9-17(2,3)22-15-13(14(18)24)10-19-16(21-15)20-11-5-7-12(23)8-6-11/h10-12,23H,4-9H2,1-3H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyROWBIMUYZMZARY-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.28
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide

2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 71238055) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID71238055
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCCC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C17H29N5O2/c1-4-9-17(2,3)22-15-13(14(18)24)10-19-16(21-15)20-11-5-7-12(23)8-6-11/h10-12,23H,4-9H2,1-3H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyROWBIMUYZMZARY-UHFFFAOYSA-N
XLogP2.28
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
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-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 78044523
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide (CID 71238055) is 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide is CCCC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is ROWBIMUYZMZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-9-17(2,3)22-15-13(14(18)24)10-19-16(21-15)20-11-5-7-12(23)8-6-11/h10-12,23H,4-9H2,1-3H3,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71238055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).