4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine

C13H17N5 — CID 80788888

IUPAC4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C13H17N5/c1-9-15-12(14)8-13(16-9)17-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyAEGOIPJXJHBITJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds3

About 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine

4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80788888) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80788888
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C13H17N5/c1-9-15-12(14)8-13(16-9)17-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyAEGOIPJXJHBITJ-UHFFFAOYSA-N
XLogP2.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
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-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867400
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
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
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373851
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (CID 80788888) is 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is AEGOIPJXJHBITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-15-12(14)8-13(16-9)17-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80788888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).