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

C12H17ClN6 — CID 114126490

IUPAC6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ncn(C)n2)n1
InChIInChI=1S/C12H17ClN6/c1-4-5-9-16-11(13)8(2)12(17-9)14-6-10-15-7-19(3)18-10/h7H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyYTMRHEUNJFEREY-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.13
Rot. Bonds5

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

6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 114126490) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID114126490
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ncn(C)n2)n1
InChIInChI=1S/C12H17ClN6/c1-4-5-9-16-11(13)8(2)12(17-9)14-6-10-15-7-19(3)18-10/h7H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyYTMRHEUNJFEREY-UHFFFAOYSA-N
XLogP2.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883768
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114957215
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine (CID 114126490) is 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2ncn(C)n2)n1.
What is the InChIKey of 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is YTMRHEUNJFEREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-4-5-9-16-11(13)8(2)12(17-9)14-6-10-15-7-19(3)18-10/h7H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of 6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 280.76 g/mol, XLogP of 2.13, 5 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-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114126490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).