[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone

C14H20N4O — CID 124940558

IUPAC[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C14H20N4O/c15-14-16-7-6-12(17-14)11-5-2-8-18(9-11)13(19)10-3-1-4-10/h6-7,10-11H,1-5,8-9H2,(H2,15,16,17)/t11-/m0/s1
InChIKeyAHBGCTYQKAVXFX-NSHDSACASA-N
MW260.34 g/mol
LogP1.56
Rot. Bonds2

About [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone

[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 124940558) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
PubChem CID124940558
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C14H20N4O/c15-14-16-7-6-12(17-14)11-5-2-8-18(9-11)13(19)10-3-1-4-10/h6-7,10-11H,1-5,8-9H2,(H2,15,16,17)/t11-/m0/s1
InChIKeyAHBGCTYQKAVXFX-NSHDSACASA-N
XLogP1.56
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
CID 167929183
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone (CID 124940558) is [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone is Nc1nccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1.
What is the InChIKey of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is AHBGCTYQKAVXFX-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O/c15-14-16-7-6-12(17-14)11-5-2-8-18(9-11)13(19)10-3-1-4-10/h6-7,10-11H,1-5,8-9H2,(H2,15,16,17)/t11-/m0/s1.
What are the key properties of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone?
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 124940558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).