2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C17H27N3O — CID 114741032

IUPAC2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2(OC)CCC(C)CC2)nc2c1CNC2
InChIInChI=1S/C17H27N3O/c1-4-5-14-13-10-18-11-15(13)20-16(19-14)17(21-3)8-6-12(2)7-9-17/h12,18H,4-11H2,1-3H3
InChIKeyHWVSTCCSVCYSOF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.08
Rot. Bonds4

About 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741032) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741032
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2(OC)CCC(C)CC2)nc2c1CNC2
InChIInChI=1S/C17H27N3O/c1-4-5-14-13-10-18-11-15(13)20-16(19-14)17(21-3)8-6-12(2)7-9-17/h12,18H,4-11H2,1-3H3
InChIKeyHWVSTCCSVCYSOF-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739647
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
2-(1-ethoxycycloheptyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740756
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742417
4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740885
2-(2-methoxypropan-2-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741173
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359570
2-(1-methoxybutyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741127
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741092
2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116776019

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741032) is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(C2(OC)CCC(C)CC2)nc2c1CNC2.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is HWVSTCCSVCYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-14-13-10-18-11-15(13)20-16(19-14)17(21-3)8-6-12(2)7-9-17/h12,18H,4-11H2,1-3H3.
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 289.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).