N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C16H26N4O2 — CID 74239316

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-12(2)19-16-17-10-13(11-18-16)15(22)20(8-9-21)14-6-4-3-5-7-14/h10-12,14,21H,3-9H2,1-2H3,(H,17,18,19)
InChIKeySUINZQGYDNIQLS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds6

About N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 74239316) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID74239316
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-12(2)19-16-17-10-13(11-18-16)15(22)20(8-9-21)14-6-4-3-5-7-14/h10-12,14,21H,3-9H2,1-2H3,(H,17,18,19)
InChIKeySUINZQGYDNIQLS-UHFFFAOYSA-N
XLogP2.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
CID 156612911
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
2-[(4-Hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71237529
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237667
4-(Tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237938
2-[(4-Methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71238006
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-piperidin-4-ylpyrimidine-5-carboxamide
CID 72551074
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 72793255
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)pyrimidine-5-carboxamide
CID 72793257
2-(butylamino)-N-cyclohexyl-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 72793332
2-(butylamino)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 117849606
4-[[(1R)-1-cyclopropyl-2-hydroxyethyl]amino]-2-[(4-fluoro-4-methylpentyl)amino]pyrimidine-5-carboxamide
CID 155779816

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 74239316) is N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)N(CCO)C2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is SUINZQGYDNIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)19-16-17-10-13(11-18-16)15(22)20(8-9-21)14-6-4-3-5-7-14/h10-12,14,21H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 74239316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).