6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109320900

IUPAC6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCC(C)C)n1
InChIInChI=1S/C19H26N4O/c1-12(2)11-20-19-21-14(5)10-17(23-19)18(24)22-16-8-6-15(7-9-16)13(3)4/h6-10,12-13H,11H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyBJDXPYMTNBIERH-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.23
Rot. Bonds6

About 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109320900) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109320900
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCC(C)C)n1
InChIInChI=1S/C19H26N4O/c1-12(2)11-20-19-21-14(5)10-17(23-19)18(24)22-16-8-6-15(7-9-16)13(3)4/h6-10,12-13H,11H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyBJDXPYMTNBIERH-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-methyl-2-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320941
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320915
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320908
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109320900) is 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCC(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is BJDXPYMTNBIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)11-20-19-21-14(5)10-17(23-19)18(24)22-16-8-6-15(7-9-16)13(3)4/h6-10,12-13H,11H2,1-5H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).