6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109318997

IUPAC6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-5-10-19-18-20-13(4)11-16(22-18)17(23)21-14-6-8-15(9-7-14)24-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyLQRXZDKWJNBJJH-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.65
Rot. Bonds7

About 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide

6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109318997) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109318997
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-5-10-19-18-20-13(4)11-16(22-18)17(23)21-14-6-8-15(9-7-14)24-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyLQRXZDKWJNBJJH-UHFFFAOYSA-N
XLogP3.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318989
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109319778
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
N-(3,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318961
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide (CID 109318997) is 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is LQRXZDKWJNBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-10-19-18-20-13(4)11-16(22-18)17(23)21-14-6-8-15(9-7-14)24-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).