[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone

C15H20N4O — CID 165434882

IUPAC[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2cc(C3CC3)ncn2)C1)N1CCCC1
InChIInChI=1S/C15H20N4O/c20-15(18-5-1-2-6-18)12-8-19(9-12)14-7-13(11-3-4-11)16-10-17-14/h7,10-12H,1-6,8-9H2
InChIKeyVTKWTWJXNLBCGD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.41
Rot. Bonds3

About [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 165434882) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID165434882
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2cc(C3CC3)ncn2)C1)N1CCCC1
InChIInChI=1S/C15H20N4O/c20-15(18-5-1-2-6-18)12-8-19(9-12)14-7-13(11-3-4-11)16-10-17-14/h7,10-12H,1-6,8-9H2
InChIKeyVTKWTWJXNLBCGD-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867
[2-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 126932633
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
(3aR,6aR)-5-(cyclobutanecarbonyl)-2-(6-cyclopropylpyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133128101
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone (CID 165434882) is [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2cc(C3CC3)ncn2)C1)N1CCCC1.
What is the InChIKey of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VTKWTWJXNLBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(18-5-1-2-6-18)12-8-19(9-12)14-7-13(11-3-4-11)16-10-17-14/h7,10-12H,1-6,8-9H2.
What are the key properties of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 165434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).