4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H21ClN2O — CID 116745833

IUPAC4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOC1(c2nc(Cl)c3c(n2)CCC3)CCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-19-15(9-4-2-3-5-10-15)14-17-12-8-6-7-11(12)13(16)18-14/h2-10H2,1H3
InChIKeySQCBWBIOPOIXHD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.81
Rot. Bonds2

About 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 116745833) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID116745833
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOC1(c2nc(Cl)c3c(n2)CCC3)CCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-19-15(9-4-2-3-5-10-15)14-17-12-8-6-7-11(12)13(16)18-14/h2-10H2,1H3
InChIKeySQCBWBIOPOIXHD-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116777686
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 80690540
2-(1-methoxy-4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775540
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116776019
[2-(1-methoxy-3-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 116745833) is 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COC1(c2nc(Cl)c3c(n2)CCC3)CCCCCC1.
What is the InChIKey of 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is SQCBWBIOPOIXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-19-15(9-4-2-3-5-10-15)14-17-12-8-6-7-11(12)13(16)18-14/h2-10H2,1H3.
What are the key properties of 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 280.80 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 116745833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).