6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine

C14H13ClN6 — CID 115914776

IUPAC6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
SMILESCn1cnnc1CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN6/c1-21-9-17-20-13(21)8-16-12-7-11(15)18-14(19-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,16,18,19)
InChIKeyIRCHKNDPYFTJNB-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.54
Rot. Bonds4

About 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine

6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine (PubChem CID 115914776) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
PubChem CID115914776
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
SMILESCn1cnnc1CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN6/c1-21-9-17-20-13(21)8-16-12-7-11(15)18-14(19-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,16,18,19)
InChIKeyIRCHKNDPYFTJNB-UHFFFAOYSA-N
XLogP2.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-phenylphenyl)methanamine
CID 47059707
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
CID 115914756
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine (CID 115914776) is 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine is Cn1cnnc1CNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine?
The InChIKey is IRCHKNDPYFTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-21-9-17-20-13(21)8-16-12-7-11(15)18-14(19-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,16,18,19).
What are the key properties of 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine?
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine has a molecular weight of 300.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115914776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).