4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C19H20ClN5 — CID 22545331

IUPAC4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C19H20ClN5/c1-13-15(20)8-5-9-16(13)25-19-17(21)18(23-12-24-19)22-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,21H2,1H3,(H2,22,23,24,25)
InChIKeyLSBPOTHVAIUCKL-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.42
Rot. Bonds6

About 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 22545331) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID22545331
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C19H20ClN5/c1-13-15(20)8-5-9-16(13)25-19-17(21)18(23-12-24-19)22-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,21H2,1H3,(H2,22,23,24,25)
InChIKeyLSBPOTHVAIUCKL-UHFFFAOYSA-N
XLogP4.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541350

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 22545331) is 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Cc1c(Cl)cccc1Nc1ncnc(NCCc2ccccc2)c1N.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is LSBPOTHVAIUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-15(20)8-5-9-16(13)25-19-17(21)18(23-12-24-19)22-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 353.86 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).