N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C17H23N5O2S — CID 56904560

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2c1CNC2
InChIInChI=1S/C17H23N5O2S/c1-12(2)11-25(23,24)8-7-20-17-14-9-19-10-15(14)21-16(22-17)13-3-5-18-6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,20,21,22)
InChIKeyINIZNBKEABTPIP-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56904560) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56904560
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2c1CNC2
InChIInChI=1S/C17H23N5O2S/c1-12(2)11-25(23,24)8-7-20-17-14-9-19-10-15(14)21-16(22-17)13-3-5-18-6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,20,21,22)
InChIKeyINIZNBKEABTPIP-UHFFFAOYSA-N
XLogP1.62
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56915915
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56888595
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56882046
2-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 56870975
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56911501
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 56756881
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
2-pyridin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741082
1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56904560) is N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CC(C)CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2c1CNC2.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is INIZNBKEABTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12(2)11-25(23,24)8-7-20-17-14-9-19-10-15(14)21-16(22-17)13-3-5-18-6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56904560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).