N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C22H24N4O — CID 109373533

IUPACN,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-17-24-20(22(27)26(2)19-13-7-4-8-14-19)16-21(25-17)23-15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,23,24,25)
InChIKeyGVKIHKZVXGNURK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.11
Rot. Bonds7

About N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109373533) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109373533
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-17-24-20(22(27)26(2)19-13-7-4-8-14-19)16-21(25-17)23-15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,23,24,25)
InChIKeyGVKIHKZVXGNURK-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
4-[2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367609
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109373533) is N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1nc(NCCCc2ccccc2)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is GVKIHKZVXGNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-24-20(22(27)26(2)19-13-7-4-8-14-19)16-21(25-17)23-15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,23,24,25).
What are the key properties of N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).