2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C12H17F2N5O — CID 143940675

IUPAC2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2
InChIInChI=1S/C12H17F2N5O/c1-3-8-7-4-19(5-9(7)18-10(15)17-8)11(20)16-6-12(2,13)14/h3-6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyFUSAFDWHCXGIRX-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 143940675) has the molecular formula C12H17F2N5O and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID143940675
Molecular FormulaC12H17F2N5O
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2
InChIInChI=1S/C12H17F2N5O/c1-3-8-7-4-19(5-9(7)18-10(15)17-8)11(20)16-6-12(2,13)14/h3-6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyFUSAFDWHCXGIRX-UHFFFAOYSA-N
XLogP1.30
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 127050019
N,N,4-trimethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 97514924
4-methyl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 97514925
2-(Dimethylamino)-1-(4-methyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 97515597
4-methyl-N-propan-2-yl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide
CID 97515756
N-cyclopentyl-4-methyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide
CID 97515759
N,N,4-trimethyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide
CID 97515760
1-(2,4-Diamino-7-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267675
1-{2-[(2-Amino-5,6,7,8-tetrahydroquinazolin-4-YL)amino]ethyl}imidazolidin-2-one
CID 72856781
2-amino-N-(2,2-difluoropropyl)-4-iodo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59191963
2-[3-Oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
CID 68964036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 143940675) is 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is CCc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2.
What is the InChIKey of 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is FUSAFDWHCXGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O/c1-3-8-7-4-19(5-9(7)18-10(15)17-8)11(20)16-6-12(2,13)14/h3-6H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143940675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).