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

C14H19N5 — CID 66669959

IUPAC4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-9-13(15)16-10-17-14/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyBUAHRFUPEKLELO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds5

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

4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine (PubChem CID 66669959) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
PubChem CID66669959
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-9-13(15)16-10-17-14/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyBUAHRFUPEKLELO-UHFFFAOYSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 112855591
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
1-(6-anilinopyrimidin-4-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine
CID 58976761
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
CID 79918177

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine (CID 66669959) is 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine is CCN(CC)c1ccc(Nc2cc(N)ncn2)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The InChIKey is BUAHRFUPEKLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-9-13(15)16-10-17-14/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 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]pyrimidine-4,6-diamine is sourced from PubChem (CID 66669959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).