4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C16H25N5O2 — CID 71237412

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CC1
InChIInChI=1S/C16H25N5O2/c1-9(10-2-3-10)19-15-13(14(17)23)8-18-16(21-15)20-11-4-6-12(22)7-5-11/h8-12,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,12?/m1/s1
InChIKeyXFWSALMGQRWQDR-OIKLOGQESA-N
MW319.41 g/mol
LogP1.50
Rot. Bonds6

About 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237412) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237412
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CC1
InChIInChI=1S/C16H25N5O2/c1-9(10-2-3-10)19-15-13(14(17)23)8-18-16(21-15)20-11-4-6-12(22)7-5-11/h8-12,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,12?/m1/s1
InChIKeyXFWSALMGQRWQDR-OIKLOGQESA-N
XLogP1.50
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
CID 71237990
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
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-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
CID 71237116
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237412) is 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is C[C@@H](Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is XFWSALMGQRWQDR-OIKLOGQESA-N. The full InChI is InChI=1S/C16H25N5O2/c1-9(10-2-3-10)19-15-13(14(17)23)8-18-16(21-15)20-11-4-6-12(22)7-5-11/h8-12,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,12?/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).