4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine

C13H15N5 — CID 110089633

IUPAC4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1cccnc1Nc1nccc(C2CNC2)n1
InChIInChI=1S/C13H15N5/c1-9-3-2-5-15-12(9)18-13-16-6-4-11(17-13)10-7-14-8-10/h2-6,10,14H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyHBYGKKMILZGSQH-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.61
Rot. Bonds3

About 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine

4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 110089633) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID110089633
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1cccnc1Nc1nccc(C2CNC2)n1
InChIInChI=1S/C13H15N5/c1-9-3-2-5-15-12(9)18-13-16-6-4-11(17-13)10-7-14-8-10/h2-6,10,14H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyHBYGKKMILZGSQH-UHFFFAOYSA-N
XLogP1.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine (CID 110089633) is 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine is Cc1cccnc1Nc1nccc(C2CNC2)n1.
What is the InChIKey of 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is HBYGKKMILZGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-3-2-5-15-12(9)18-13-16-6-4-11(17-13)10-7-14-8-10/h2-6,10,14H,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 241.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 110089633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).