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

C14H21N5 — CID 65293903

IUPAC3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccn(C)n2)nc(C)c1CC(C)CN
InChIInChI=1S/C14H21N5/c1-9(8-15)7-12-10(2)16-14(17-11(12)3)13-5-6-19(4)18-13/h5-6,9H,7-8,15H2,1-4H3
InChIKeyRYDVRHJEBXCJAG-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.63
Rot. Bonds4

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

3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65293903) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65293903
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccn(C)n2)nc(C)c1CC(C)CN
InChIInChI=1S/C14H21N5/c1-9(8-15)7-12-10(2)16-14(17-11(12)3)13-5-6-19(4)18-13/h5-6,9H,7-8,15H2,1-4H3
InChIKeyRYDVRHJEBXCJAG-UHFFFAOYSA-N
XLogP1.63
TPSA69.62 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65293903) is 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(-c2ccn(C)n2)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is RYDVRHJEBXCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(8-15)7-12-10(2)16-14(17-11(12)3)13-5-6-19(4)18-13/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65293903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).