2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine

C14H21N5 — CID 65197798

IUPAC2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C14H21N5/c1-9(8-15-4)13-10(2)16-14(17-11(13)3)12-6-7-19(5)18-12/h6-7,9,15H,8H2,1-5H3
InChIKeyIJKABMWEIOQCMY-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.82
Rot. Bonds4

About 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine

2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 65197798) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID65197798
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C14H21N5/c1-9(8-15-4)13-10(2)16-14(17-11(13)3)12-6-7-19(5)18-12/h6-7,9,15H,8H2,1-5H3
InChIKeyIJKABMWEIOQCMY-UHFFFAOYSA-N
XLogP1.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (CID 65197798) is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is IJKABMWEIOQCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(8-15-4)13-10(2)16-14(17-11(13)3)12-6-7-19(5)18-12/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65197798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).