4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine

C15H20N4O — CID 72895670

IUPAC4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
SMILESCC(CNc1nccc(C(C)C)n1)Oc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)14-6-8-17-15(19-14)18-9-12(3)20-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)
InChIKeyPPFBYPYBDLZKAI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.87
Rot. Bonds6

About 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine

4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine (PubChem CID 72895670) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
PubChem CID72895670
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
SMILESCC(CNc1nccc(C(C)C)n1)Oc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)14-6-8-17-15(19-14)18-9-12(3)20-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)
InChIKeyPPFBYPYBDLZKAI-UHFFFAOYSA-N
XLogP2.87
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine (CID 72895670) is 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine is CC(CNc1nccc(C(C)C)n1)Oc1cccnc1.
What is the InChIKey of 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine?
The InChIKey is PPFBYPYBDLZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14-6-8-17-15(19-14)18-9-12(3)20-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine?
4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 72895670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).