4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C18H17Cl2N5 — CID 19138034

IUPAC4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N5/c19-13-6-7-14(20)15(10-13)25-18-16(21)17(23-11-24-18)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25)
InChIKeyWLNNHEZUPHKFCL-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.76
Rot. Bonds6

About 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19138034) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19138034
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N5/c19-13-6-7-14(20)15(10-13)25-18-16(21)17(23-11-24-18)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25)
InChIKeyWLNNHEZUPHKFCL-UHFFFAOYSA-N
XLogP4.76
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine 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

6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 19138034) is 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is WLNNHEZUPHKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c19-13-6-7-14(20)15(10-13)25-18-16(21)17(23-11-24-18)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25).
What are the key properties of 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 374.28 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19138034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).