1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

C12H18N4O — CID 110269883

IUPAC1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccnc(N)n2)C1
InChIInChI=1S/C12H18N4O/c1-8(2)11(17)16-6-4-9(7-16)10-3-5-14-12(13)15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyAWMRBYOBXPUTCH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.03
Rot. Bonds2

About 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 110269883) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID110269883
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccnc(N)n2)C1
InChIInChI=1S/C12H18N4O/c1-8(2)11(17)16-6-4-9(7-16)10-3-5-14-12(13)15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyAWMRBYOBXPUTCH-UHFFFAOYSA-N
XLogP1.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450964
N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90648236
(2S)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450963
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 86285634

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 110269883) is 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2ccnc(N)n2)C1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AWMRBYOBXPUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)11(17)16-6-4-9(7-16)10-3-5-14-12(13)15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110269883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).