6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C12H16ClN5 — CID 80965344

IUPAC6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)c(C)n2)nc(C(C)C)n1
InChIInChI=1S/C12H16ClN5/c1-7(2)12-15-10(14-4)5-11(16-12)18-6-9(13)8(3)17-18/h5-7H,1-4H3,(H,14,15,16)
InChIKeyOVLNOIJELKZQRB-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.79
Rot. Bonds3

About 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965344) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965344
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)c(C)n2)nc(C(C)C)n1
InChIInChI=1S/C12H16ClN5/c1-7(2)12-15-10(14-4)5-11(16-12)18-6-9(13)8(3)17-18/h5-7H,1-4H3,(H,14,15,16)
InChIKeyOVLNOIJELKZQRB-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80988906
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
[6-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968945
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966779
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956223
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965540
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962074
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80965622

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80965344) is 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-n2cc(Cl)c(C)n2)nc(C(C)C)n1.
What is the InChIKey of 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is OVLNOIJELKZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-7(2)12-15-10(14-4)5-11(16-12)18-6-9(13)8(3)17-18/h5-7H,1-4H3,(H,14,15,16).
What are the key properties of 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).