1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine

C12H16ClN5 — CID 114216739

IUPAC1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)nc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-7-11(13)8(2)18(17-7)12-10(5-14-4)6-15-9(3)16-12/h6,14H,5H2,1-4H3
InChIKeyXQWVHDRKEJCFJJ-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.96
Rot. Bonds3

About 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114216739) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID114216739
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)nc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-7-11(13)8(2)18(17-7)12-10(5-14-4)6-15-9(3)16-12/h6,14H,5H2,1-4H3
InChIKeyXQWVHDRKEJCFJJ-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
CID 83189032
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074627
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189101
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 79631899
N-[[5-bromo-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294110
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189411
5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80857052
[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
CID 106777098
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
CID 114238187
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635274
N-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81254327
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
CID 62129175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine (CID 114216739) is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(C)nc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is XQWVHDRKEJCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-7-11(13)8(2)18(17-7)12-10(5-14-4)6-15-9(3)16-12/h6,14H,5H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 265.75 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114216739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).