[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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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).