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

C15H21N5 — CID 80828137

IUPAC4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N)nc(C)n2)cc1
InChIInChI=1S/C15H21N5/c1-4-20(5-2)13-8-6-12(7-9-13)19-15-10-14(16)17-11(3)18-15/h6-10H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyWYQYNGRLZXOPAQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.96
Rot. Bonds5

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

4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80828137) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80828137
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N)nc(C)n2)cc1
InChIInChI=1S/C15H21N5/c1-4-20(5-2)13-8-6-12(7-9-13)19-15-10-14(16)17-11(3)18-15/h6-10H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyWYQYNGRLZXOPAQ-UHFFFAOYSA-N
XLogP2.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.96
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

1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 86235846
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
1-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 112873889
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (CID 80828137) is 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is CCN(CC)c1ccc(Nc2cc(N)nc(C)n2)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is WYQYNGRLZXOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-20(5-2)13-8-6-12(7-9-13)19-15-10-14(16)17-11(3)18-15/h6-10H,4-5H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80828137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).