N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide

C23H27N5O — CID 112852404

IUPACN-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-16(2)15-24-21-14-20(26-22(27-21)17-8-6-5-7-9-17)23(29)25-18-10-12-19(13-11-18)28(3)4/h5-14,16H,15H2,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyAXMVEIHWQLDIHQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.53
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852404) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852404
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-16(2)15-24-21-14-20(26-22(27-21)17-8-6-5-7-9-17)23(29)25-18-10-12-19(13-11-18)28(3)4/h5-14,16H,15H2,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyAXMVEIHWQLDIHQ-UHFFFAOYSA-N
XLogP4.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide (CID 112852404) is N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is AXMVEIHWQLDIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16(2)15-24-21-14-20(26-22(27-21)17-8-6-5-7-9-17)23(29)25-18-10-12-19(13-11-18)28(3)4/h5-14,16H,15H2,1-4H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).