1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone

C12H19N5O — CID 95817631

IUPAC1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-16(2)8-11(18)17-6-4-9(7-17)10-3-5-14-12(13)15-10/h3,5,9H,4,6-8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyXTFCDTLAPIBGMY-SECBINFHSA-N
MW249.32 g/mol
LogP-0.06
Rot. Bonds3

About 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone

1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 95817631) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID95817631
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-16(2)8-11(18)17-6-4-9(7-17)10-3-5-14-12(13)15-10/h3,5,9H,4,6-8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyXTFCDTLAPIBGMY-SECBINFHSA-N
XLogP-0.06
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
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
[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-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450964
(2S)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450963
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone (CID 95817631) is 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CC[C@@H](c2ccnc(N)n2)C1.
What is the InChIKey of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is XTFCDTLAPIBGMY-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)8-11(18)17-6-4-9(7-17)10-3-5-14-12(13)15-10/h3,5,9H,4,6-8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone?
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 249.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 95817631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).