4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C18H25N3O2 — CID 135963340

IUPAC4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1
InChIInChI=1S/C18H25N3O2/c1-11(2)13-9-15(22)20-16(19-13)14-5-3-8-21(14)17(23)12-10-18(12)6-4-7-18/h9,11-12,14H,3-8,10H2,1-2H3,(H,19,20,22)/t12-,14-/m1/s1
InChIKeyOTVMFJQISZZWCK-TZMCWYRMSA-N
MW315.42 g/mol
LogP2.75
Rot. Bonds3

About 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 135963340) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID135963340
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1
InChIInChI=1S/C18H25N3O2/c1-11(2)13-9-15(22)20-16(19-13)14-5-3-8-21(14)17(23)12-10-18(12)6-4-7-18/h9,11-12,14H,3-8,10H2,1-2H3,(H,19,20,22)/t12-,14-/m1/s1
InChIKeyOTVMFJQISZZWCK-TZMCWYRMSA-N
XLogP2.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963344
(3S)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963342
2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135963347
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
7-(pyridin-4-ylmethyl)-2-[(2S)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090397
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
3-[3-[(2S)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 135963664
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 135963340) is 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1.
What is the InChIKey of 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is OTVMFJQISZZWCK-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)13-9-15(22)20-16(19-13)14-5-3-8-21(14)17(23)12-10-18(12)6-4-7-18/h9,11-12,14H,3-8,10H2,1-2H3,(H,19,20,22)/t12-,14-/m1/s1.
What are the key properties of 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135963340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).