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

C14H23N5O2 — CID 71237529

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C14H23N5O2/c1-8(2)17-13-11(12(15)21)7-16-14(19-13)18-9-3-5-10(20)6-4-9/h7-10,20H,3-6H2,1-2H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyNSPCSJPGLMJDCZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.11
Rot. Bonds5

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

2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 71237529) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID71237529
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C14H23N5O2/c1-8(2)17-13-11(12(15)21)7-16-14(19-13)18-9-3-5-10(20)6-4-9/h7-10,20H,3-6H2,1-2H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyNSPCSJPGLMJDCZ-UHFFFAOYSA-N
XLogP1.11
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Cc-90001
CID 71237511
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575844
4-[[(1R,3S)-3-hydroxycycloheptyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237369
2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
CID 156612911
4-((1R,3S)-3-hydroxycyclohexylamino)-2-(4-(2,2,2-trifluoroethoxy)cyclohexyl-amino)pyrimidine-5-carboxamide
CID 66575842
4-[(3-Hydroxy-3-methylbutyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575924
2-(4,4-difluorocyclohexylamino)-4-((1R,3S)-3-hydroxycyclohexylamino)pyrimidine-5-carboxamide
CID 66575928
4-[[(1R,3S)-3-methoxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576005
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
4-(1-Bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-[[(1R,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237065
4-[[(1R)-3,3-difluorocyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 71237529) is 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is NSPCSJPGLMJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-8(2)17-13-11(12(15)21)7-16-14(19-13)18-9-3-5-10(20)6-4-9/h7-10,20H,3-6H2,1-2H3,(H2,15,21)(H2,16,17,18,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.11, 5 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-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71237529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).