2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C19H26N4O — CID 109362188

IUPAC2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C19H26N4O/c1-14(2)13-21-19(24)17-12-18(23-15(3)22-17)20-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeySNQKCXJXWUUMRL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds8

About 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109362188) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109362188
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C19H26N4O/c1-14(2)13-21-19(24)17-12-18(23-15(3)22-17)20-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeySNQKCXJXWUUMRL-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
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-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
4-[2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367609
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109362188) is 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1nc(NCCCc2ccccc2)cc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is SNQKCXJXWUUMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)13-21-19(24)17-12-18(23-15(3)22-17)20-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).