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

C20H28N4O — CID 109333333

IUPAC6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-6-7-12-21-20-22-15(4)13-18(24-20)19(25)23-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyDQHXOQQEZGHHJQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.76
Rot. Bonds8

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

6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109333333) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109333333
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-6-7-12-21-20-22-15(4)13-18(24-20)19(25)23-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyDQHXOQQEZGHHJQ-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328129
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109333333) is 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DQHXOQQEZGHHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-6-7-12-21-20-22-15(4)13-18(24-20)19(25)23-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).