[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C11H14ClN5 — CID 62295234

IUPAC[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(-n2cc(Cl)cn2)c(CN)n1
InChIInChI=1S/C11H14ClN5/c1-7(2)11-14-5-10(9(3-13)16-11)17-6-8(12)4-15-17/h4-7H,3,13H2,1-2H3
InChIKeyUTJOUYJOFKRRTM-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.90
Rot. Bonds3

About [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62295234) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62295234
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(-n2cc(Cl)cn2)c(CN)n1
InChIInChI=1S/C11H14ClN5/c1-7(2)11-14-5-10(9(3-13)16-11)17-6-8(12)4-15-17/h4-7H,3,13H2,1-2H3
InChIKeyUTJOUYJOFKRRTM-UHFFFAOYSA-N
XLogP1.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
US9932325, Example 72
CID 132244646
2-Methylpyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 146154023
5-Methylpyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
CID 154577322
2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 60758794
N-[(2-isopropylpyrimidin-4-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)ethanamine
CID 77088979
5-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 132384565
4-N-methyl-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094425
4-N-methyl-2-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094429
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093173

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62295234) is [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(-n2cc(Cl)cn2)c(CN)n1.
What is the InChIKey of [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is UTJOUYJOFKRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)11-14-5-10(9(3-13)16-11)17-6-8(12)4-15-17/h4-7H,3,13H2,1-2H3.
What are the key properties of [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62295234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).