6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C13H18ClN5 — CID 80988906

IUPAC6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-n2cc(Cl)c(C)n2)c1C
InChIInChI=1S/C13H18ClN5/c1-7(2)11-16-12(15-5)8(3)13(17-11)19-6-10(14)9(4)18-19/h6-7H,1-5H3,(H,15,16,17)
InChIKeyAYRSTVXPXKMDLU-UHFFFAOYSA-N
MW279.78 g/mol
LogP3.10
Rot. Bonds3

About 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988906) has the molecular formula C13H18ClN5 and a molecular weight of 279.78 g/mol. Its IUPAC name is 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988906
Molecular FormulaC13H18ClN5
Molecular Weight279.78 g/mol
Exact Mass279.13
IUPAC Name6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-n2cc(Cl)c(C)n2)c1C
InChIInChI=1S/C13H18ClN5/c1-7(2)11-16-12(15-5)8(3)13(17-11)19-6-10(14)9(4)18-19/h6-7H,1-5H3,(H,15,16,17)
InChIKeyAYRSTVXPXKMDLU-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80965344
2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80989029
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80989279
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992031
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961764
6-(2,6-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80981350
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80985531
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 83224199
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80985618
6-(2,5-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80993238
6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975407

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80988906) is 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(-n2cc(Cl)c(C)n2)c1C.
What is the InChIKey of 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AYRSTVXPXKMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-7(2)11-16-12(15-5)8(3)13(17-11)19-6-10(14)9(4)18-19/h6-7H,1-5H3,(H,15,16,17).
What are the key properties of 6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.78 g/mol, XLogP of 3.10, 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,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).