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

C11H15F2N5O — CID 91205316

IUPAC2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2
InChIInChI=1S/C11H15F2N5O/c1-6-7-3-18(4-8(7)17-9(14)16-6)10(19)15-5-11(2,12)13/h3-5H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyJIMGRDUARDIHNJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.05
Rot. Bonds2

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

2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 91205316) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID91205316
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2
InChIInChI=1S/C11H15F2N5O/c1-6-7-3-18(4-8(7)17-9(14)16-6)10(19)15-5-11(2,12)13/h3-5H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyJIMGRDUARDIHNJ-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Diamino-7-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267675
2-amino-N-(2,2-difluoropropyl)-4-iodo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59191963
4-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 123916444
1-[4-(Dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
CID 134410661
2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 143940675
N-[2-[(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 164111631
2,2-Difluoropropyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;ethane
CID 168228339
CID 168228532
CID 168228532
2-amino-6-methyl-4-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclohexane
CID 169260264
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 170364248
7-Methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 14929636
[7-Methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine
CID 82390474

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 91205316) is 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2.
What is the InChIKey of 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is JIMGRDUARDIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O/c1-6-7-3-18(4-8(7)17-9(14)16-6)10(19)15-5-11(2,12)13/h3-5H2,1-2H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 1.05, 2 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-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).