3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine

C12H17N5 — CID 62717643

IUPAC3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine
SMILESCc1cc(C)nc(-n2cc(CCCN)cn2)n1
InChIInChI=1S/C12H17N5/c1-9-6-10(2)16-12(15-9)17-8-11(7-14-17)4-3-5-13/h6-8H,3-5,13H2,1-2H3
InChIKeyYZNRJXMUGYKAJZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.17
Rot. Bonds4

About 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine

3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 62717643) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine
PubChem CID62717643
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine
SMILESCc1cc(C)nc(-n2cc(CCCN)cn2)n1
InChIInChI=1S/C12H17N5/c1-9-6-10(2)16-12(15-9)17-8-11(7-14-17)4-3-5-13/h6-8H,3-5,13H2,1-2H3
InChIKeyYZNRJXMUGYKAJZ-UHFFFAOYSA-N
XLogP1.17
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine (CID 62717643) is 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine is Cc1cc(C)nc(-n2cc(CCCN)cn2)n1.
What is the InChIKey of 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is YZNRJXMUGYKAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-6-10(2)16-12(15-9)17-8-11(7-14-17)4-3-5-13/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine?
3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62717643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).