[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone

C18H27N5O — CID 167929183

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
SMILESNc1nccc(C2CN(C(=O)C3CCN(C4CCCCC4)C3)C2)n1
InChIInChI=1S/C18H27N5O/c19-18-20-8-6-16(21-18)14-11-23(12-14)17(24)13-7-9-22(10-13)15-4-2-1-3-5-15/h6,8,13-15H,1-5,7,9-12H2,(H2,19,20,21)
InChIKeyRKIIRPGOQOZYIT-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.64
Rot. Bonds3

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone (PubChem CID 167929183) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
PubChem CID167929183
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
SMILESNc1nccc(C2CN(C(=O)C3CCN(C4CCCCC4)C3)C2)n1
InChIInChI=1S/C18H27N5O/c19-18-20-8-6-16(21-18)14-11-23(12-14)17(24)13-7-9-22(10-13)15-4-2-1-3-5-15/h6,8,13-15H,1-5,7,9-12H2,(H2,19,20,21)
InChIKeyRKIIRPGOQOZYIT-UHFFFAOYSA-N
XLogP1.64
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine
CID 95841747
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
CID 167751037
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone (CID 167929183) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone is Nc1nccc(C2CN(C(=O)C3CCN(C4CCCCC4)C3)C2)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone?
The InChIKey is RKIIRPGOQOZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c19-18-20-8-6-16(21-18)14-11-23(12-14)17(24)13-7-9-22(10-13)15-4-2-1-3-5-15/h6,8,13-15H,1-5,7,9-12H2,(H2,19,20,21).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 167929183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).