4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C14H18ClN5 — CID 64829899

IUPAC4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2cc(N)ccc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-19(2)14-17-7-6-13(18-14)20(3)9-10-8-11(16)4-5-12(10)15/h4-8H,9,16H2,1-3H3
InChIKeyPCYIMZQTCLZXSC-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.41
Rot. Bonds4

About 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 64829899) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID64829899
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2cc(N)ccc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-19(2)14-17-7-6-13(18-14)20(3)9-10-8-11(16)4-5-12(10)15/h4-8H,9,16H2,1-3H3
InChIKeyPCYIMZQTCLZXSC-UHFFFAOYSA-N
XLogP2.41
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-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-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829706
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584134
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 61240321
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
CID 66287522
N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65275542
4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979346
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 64829899) is 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)Cc2cc(N)ccc2Cl)n1.
What is the InChIKey of 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is PCYIMZQTCLZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-19(2)14-17-7-6-13(18-14)20(3)9-10-8-11(16)4-5-12(10)15/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 291.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).