2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine

C18H24N6 — CID 86342169

IUPAC2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCC3)n2)c1
InChIInChI=1S/C18H24N6/c1-13-3-8-20-16(11-13)22-17-12-15(14-4-6-19-7-5-14)21-18(23-17)24-9-2-10-24/h3,8,11-12,14,19H,2,4-7,9-10H2,1H3,(H,20,21,22,23)
InChIKeyXXQDGBFDFJGYDC-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.60
Rot. Bonds4

About 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine

2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 86342169) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID86342169
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCC3)n2)c1
InChIInChI=1S/C18H24N6/c1-13-3-8-20-16(11-13)22-17-12-15(14-4-6-19-7-5-14)21-18(23-17)24-9-2-10-24/h3,8,11-12,14,19H,2,4-7,9-10H2,1H3,(H,20,21,22,23)
InChIKeyXXQDGBFDFJGYDC-UHFFFAOYSA-N
XLogP2.60
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine (CID 86342169) is 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine is Cc1ccnc(Nc2cc(C3CCNCC3)nc(N3CCC3)n2)c1.
What is the InChIKey of 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is XXQDGBFDFJGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-3-8-20-16(11-13)22-17-12-15(14-4-6-19-7-5-14)21-18(23-17)24-9-2-10-24/h3,8,11-12,14,19H,2,4-7,9-10H2,1H3,(H,20,21,22,23).
What are the key properties of 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine?
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 86342169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).