N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

C12H18N4O — CID 105494802

IUPACN-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CCCC2)nc2c1CNC2
InChIInChI=1S/C12H18N4O/c1-17-11-9-6-13-7-10(9)15-12(16-11)14-8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyGHVQELCQHUTBNH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 105494802) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID105494802
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CCCC2)nc2c1CNC2
InChIInChI=1S/C12H18N4O/c1-17-11-9-6-13-7-10(9)15-12(16-11)14-8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyGHVQELCQHUTBNH-UHFFFAOYSA-N
XLogP1.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101008
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100703
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384
2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 105494802) is N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is COc1nc(NC2CCCC2)nc2c1CNC2.
What is the InChIKey of N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is GHVQELCQHUTBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-11-9-6-13-7-10(9)15-12(16-11)14-8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 105494802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).