4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H20N4O — CID 70578967

IUPAC4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(N2CCN(C)CC2)nc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-4-10(11)12(15-13)18-2/h3-9H2,1-2H3
InChIKeyMVODTPFPRWFLRR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.73
Rot. Bonds2

About 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 70578967) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID70578967
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(N2CCN(C)CC2)nc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-4-10(11)12(15-13)18-2/h3-9H2,1-2H3
InChIKeyMVODTPFPRWFLRR-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 498210
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;hydrochloride
CID 73355001
7,7-Difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
CID 156555746
2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 158780073
4-isopropoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 498212
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 72197312
2-methyl-4-(2,2,2-trifluoroethoxy)-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954711
4-(2,2-difluoroethoxy)-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954712
4-Ethyl-2,6-dimethoxy-5-propan-2-ylpyrimidine
CID 10656072
4-Methoxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
CID 230744
(3R,4R)-4-[(2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]oxolan-3-ol
CID 9796517
(3R,4R)-4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]oxolan-3-ol
CID 9948474

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 70578967) is 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1nc(N2CCN(C)CC2)nc2c1CCC2.
What is the InChIKey of 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MVODTPFPRWFLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-4-10(11)12(15-13)18-2/h3-9H2,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 248.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 70578967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).