5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide

C17H20N4O3 — CID 170346650

IUPAC5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(C2CCOCC2)nc(C(N)=O)c1N
InChIInChI=1S/C17H20N4O3/c1-9-2-3-11(22)8-12(9)14-13(18)15(16(19)23)21-17(20-14)10-4-6-24-7-5-10/h2-3,8,10,22H,4-7,18H2,1H3,(H2,19,23)
InChIKeyRIBZIGLBGFVTNH-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide

5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide (PubChem CID 170346650) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide
PubChem CID170346650
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(C2CCOCC2)nc(C(N)=O)c1N
InChIInChI=1S/C17H20N4O3/c1-9-2-3-11(22)8-12(9)14-13(18)15(16(19)23)21-17(20-14)10-4-6-24-7-5-10/h2-3,8,10,22H,4-7,18H2,1H3,(H2,19,23)
InChIKeyRIBZIGLBGFVTNH-UHFFFAOYSA-N
XLogP1.73
TPSA124.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 170346746
5-Amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283549
5-Amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283560
5-Amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283575
5-Amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283593
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 177283637
5-Amino-2-[2-(2,2-difluoroethylamino)-5-fluoro-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 170346611
5-Amino-2-(4,4-difluorocyclohexen-1-yl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346615
5-Amino-2-(4,4-difluorocyclohexyl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346788
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 170346759
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 177283419
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide
CID 177283468

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide (CID 170346650) is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(C2CCOCC2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide?
The InChIKey is RIBZIGLBGFVTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9-2-3-11(22)8-12(9)14-13(18)15(16(19)23)21-17(20-14)10-4-6-24-7-5-10/h2-3,8,10,22H,4-7,18H2,1H3,(H2,19,23).
What are the key properties of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide?
5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170346650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).