2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H12N2O2 — CID 156555750

IUPAC2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CCC2
InChIInChI=1S/C9H12N2O2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyMDMIHAONQWZJQJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.98
Rot. Bonds2

About 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 156555750) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID156555750
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CCC2
InChIInChI=1S/C9H12N2O2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyMDMIHAONQWZJQJ-UHFFFAOYSA-N
XLogP0.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
3-amino-2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)oxy]-3,3-diphenylpropanoic acid
CID 142645035
1-(4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-N-methylethanamine
CID 105496729
4-methoxy-2-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 105493352
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 156555745
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461
2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine
CID 125359927
4-chloro-2-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101171
2,4-dimethoxy-5-oxo-7,8-dihydro-6H-quinazoline-6-carbonitrile
CID 14222969
trimethyl-(2,4,6-trimethoxypyrimidin-5-yl)silane
CID 14615104
7-(8-chloronaphthalen-1-yl)-2,4-dimethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 170416265
2-ethoxy-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58336219

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 156555750) is 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1nc2c(c(OC)n1)CCC2.
What is the InChIKey of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MDMIHAONQWZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 180.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 156555750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).