4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine

C14H18Cl2N2O — CID 112569454

IUPAC4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
SMILESClc1nc(C2CCOCC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-11(9-3-1-2-4-9)13(16)18-14(17-12)10-5-7-19-8-6-10/h9-10H,1-8H2
InChIKeyPWULPQHWBASUMI-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.34
Rot. Bonds2

About 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine (PubChem CID 112569454) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
PubChem CID112569454
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
SMILESClc1nc(C2CCOCC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-11(9-3-1-2-4-9)13(16)18-14(17-12)10-5-7-19-8-6-10/h9-10H,1-8H2
InChIKeyPWULPQHWBASUMI-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62386841
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
2-chloro-4-cyclooctyl-6-cycloundecyl-1,3,5-triazine
CID 146635331
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143
4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470514

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine (CID 112569454) is 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine is Clc1nc(C2CCOCC2)nc(Cl)c1C1CCCC1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is PWULPQHWBASUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-12-11(9-3-1-2-4-9)13(16)18-14(17-12)10-5-7-19-8-6-10/h9-10H,1-8H2.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 301.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 112569454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).