6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H23N5 — CID 112867400

IUPAC6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(NC(C)C)n1
InChIInChI=1S/C16H23N5/c1-11(2)17-15-10-16(19-12(3)18-15)20-13-6-8-14(9-7-13)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20)
InChIKeyNYJZQGGBMQCCTA-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.41
Rot. Bonds5

About 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112867400) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112867400
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(NC(C)C)n1
InChIInChI=1S/C16H23N5/c1-11(2)17-15-10-16(19-12(3)18-15)20-13-6-8-14(9-7-13)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20)
InChIKeyNYJZQGGBMQCCTA-UHFFFAOYSA-N
XLogP3.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.41
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

4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373851
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 50748403
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112867400) is 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(N(C)C)cc2)cc(NC(C)C)n1.
What is the InChIKey of 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NYJZQGGBMQCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)17-15-10-16(19-12(3)18-15)20-13-6-8-14(9-7-13)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).