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

C13H19N5 — CID 65197742

IUPAC3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2cnn(C)c2)nc(C)c1CCCN
InChIInChI=1S/C13H19N5/c1-9-12(5-4-6-14)10(2)17-13(16-9)11-7-15-18(3)8-11/h7-8H,4-6,14H2,1-3H3
InChIKeyYJRBEHBWPFZFTO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.39
Rot. Bonds4

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

3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine (PubChem CID 65197742) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
PubChem CID65197742
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2cnn(C)c2)nc(C)c1CCCN
InChIInChI=1S/C13H19N5/c1-9-12(5-4-6-14)10(2)17-13(16-9)11-7-15-18(3)8-11/h7-8H,4-6,14H2,1-3H3
InChIKeyYJRBEHBWPFZFTO-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.39
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-4-yl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine (CID 65197742) is 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine is Cc1nc(-c2cnn(C)c2)nc(C)c1CCCN.
What is the InChIKey of 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is YJRBEHBWPFZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-12(5-4-6-14)10(2)17-13(16-9)11-7-15-18(3)8-11/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine?
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.39, 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-4-yl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 65197742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).