N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C12H16N4O2S — CID 110874973

IUPACN-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1ccn2C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N4O2S/c1-15-5-3-10-11(15)13-8-14-12(10)16(2)9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyQZVZAUNKEWISLZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.59
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110874973) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110874973
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1ccn2C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N4O2S/c1-15-5-3-10-11(15)13-8-14-12(10)16(2)9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyQZVZAUNKEWISLZ-UHFFFAOYSA-N
XLogP0.59
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874987
N-(1,1-dioxothiolan-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874971
4-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]quinazoline-7-carboxylic acid
CID 7137840
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
tert-butyl 3-[methyl-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]azepane-1-carboxylate
CID 123220250
N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875033
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 62101682
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 41320288
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899134
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110874973) is N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2c1ccn2C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QZVZAUNKEWISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-5-3-10-11(15)13-8-14-12(10)16(2)9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 280.35 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110874973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).