(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone

C10H13N3O — CID 116580427

IUPAC(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
SMILESCC1(C(=O)c2cncnc2)CCCN1
InChIInChI=1S/C10H13N3O/c1-10(3-2-4-13-10)9(14)8-5-11-7-12-6-8/h5-7,13H,2-4H2,1H3
InChIKeyFBEPJHHNKVCMKJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.80
Rot. Bonds2

About (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone

(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone (PubChem CID 116580427) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
PubChem CID116580427
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
SMILESCC1(C(=O)c2cncnc2)CCCN1
InChIInChI=1S/C10H13N3O/c1-10(3-2-4-13-10)9(14)8-5-11-7-12-6-8/h5-7,13H,2-4H2,1H3
InChIKeyFBEPJHHNKVCMKJ-UHFFFAOYSA-N
XLogP0.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580596
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 90695211
(2-methylpiperidin-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116614075
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
(2S)-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436345
(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 130530173
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114669700

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone (CID 116580427) is (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone is CC1(C(=O)c2cncnc2)CCCN1.
What is the InChIKey of (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone?
The InChIKey is FBEPJHHNKVCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(3-2-4-13-10)9(14)8-5-11-7-12-6-8/h5-7,13H,2-4H2,1H3.
What are the key properties of (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone?
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 116580427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).