1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone

C10H12F2N4O — CID 144740225

IUPAC1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone
SMILESNc1nccc(C2CCN(C(=O)C(F)F)C2)n1
InChIInChI=1S/C10H12F2N4O/c11-8(12)9(17)16-4-2-6(5-16)7-1-3-14-10(13)15-7/h1,3,6,8H,2,4-5H2,(H2,13,14,15)
InChIKeyMMNFGHAHQXNDFU-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.64
Rot. Bonds2

About 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone

1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone (PubChem CID 144740225) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone
PubChem CID144740225
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone
SMILESNc1nccc(C2CCN(C(=O)C(F)F)C2)n1
InChIInChI=1S/C10H12F2N4O/c11-8(12)9(17)16-4-2-6(5-16)7-1-3-14-10(13)15-7/h1,3,6,8H,2,4-5H2,(H2,13,14,15)
InChIKeyMMNFGHAHQXNDFU-UHFFFAOYSA-N
XLogP0.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
CID 56867847
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
N~1~-{rel-(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}glycinamide hydrochloride
CID 72856353
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
2-[3-(2-Aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110254170
1-[3-[2-Methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110269654
4-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 110269911

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone (CID 144740225) is 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone is Nc1nccc(C2CCN(C(=O)C(F)F)C2)n1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone?
The InChIKey is MMNFGHAHQXNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c11-8(12)9(17)16-4-2-6(5-16)7-1-3-14-10(13)15-7/h1,3,6,8H,2,4-5H2,(H2,13,14,15).
What are the key properties of 1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone?
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2,2-difluoroethanone has a molecular weight of 242.23 g/mol, XLogP of 0.64, 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]-2,2-difluoroethanone is sourced from PubChem (CID 144740225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).