6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C9H11ClN6 — CID 63728344

IUPAC6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCc1nncn1C
InChIInChI=1S/C9H11ClN6/c1-6-8(10)12-4-13-9(6)11-3-7-15-14-5-16(7)2/h4-5H,3H2,1-2H3,(H,11,12,13)
InChIKeyCOWWWCUILFIOME-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.18
Rot. Bonds3

About 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 63728344) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID63728344
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCc1nncn1C
InChIInChI=1S/C9H11ClN6/c1-6-8(10)12-4-13-9(6)11-3-7-15-14-5-16(7)2/h4-5H,3H2,1-2H3,(H,11,12,13)
InChIKeyCOWWWCUILFIOME-UHFFFAOYSA-N
XLogP1.18
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine
CID 71975890
5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 84600223
5-methyl-4-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 97127404
7-(6-chloro-5-methylpyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64577380
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 79081853
5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076192
5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076834
5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076836
6-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 105901589
5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106293312
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106303908
6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106303931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 63728344) is 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NCc1nncn1C.
What is the InChIKey of 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is COWWWCUILFIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c1-6-8(10)12-4-13-9(6)11-3-7-15-14-5-16(7)2/h4-5H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 238.68 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63728344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).