2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H17N5O — CID 102953176

IUPAC2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1cc(-c2nc3c(c(C(C)C)n2)CNC3)ncn1
InChIInChI=1S/C14H17N5O/c1-8(2)13-9-5-15-6-11(9)18-14(19-13)10-4-12(20-3)17-7-16-10/h4,7-8,15H,5-6H2,1-3H3
InChIKeyFTJFKZJKFITTPC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.67
Rot. Bonds3

About 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 102953176) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID102953176
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1cc(-c2nc3c(c(C(C)C)n2)CNC3)ncn1
InChIInChI=1S/C14H17N5O/c1-8(2)13-9-5-15-6-11(9)18-14(19-13)10-4-12(20-3)17-7-16-10/h4,7-8,15H,5-6H2,1-3H3
InChIKeyFTJFKZJKFITTPC-UHFFFAOYSA-N
XLogP1.67
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
CID 114207194
4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
CID 102949864
2-(6-methoxypyrimidin-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136784742
2-(3-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741283
2-(2-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107924841
5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952722
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 102953176) is 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1cc(-c2nc3c(c(C(C)C)n2)CNC3)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is FTJFKZJKFITTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(2)13-9-5-15-6-11(9)18-14(19-13)10-4-12(20-3)17-7-16-10/h4,7-8,15H,5-6H2,1-3H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 102953176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).