4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine

C15H15Cl2N3 — CID 115926418

IUPAC4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
SMILESCc1ccnc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)c1
InChIInChI=1S/C15H15Cl2N3/c1-9-6-7-18-11(8-9)15-19-13(16)12(14(17)20-15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyGQYANNGPHSUJNX-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.81
Rot. Bonds2

About 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine (PubChem CID 115926418) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
PubChem CID115926418
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
SMILESCc1ccnc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)c1
InChIInChI=1S/C15H15Cl2N3/c1-9-6-7-18-11(8-9)15-19-13(16)12(14(17)20-15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyGQYANNGPHSUJNX-UHFFFAOYSA-N
XLogP4.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 63840648
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
CID 115926474
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
dichlororuthenium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 11261228
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
CID 114488377
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine (CID 115926418) is 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine is Cc1ccnc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine?
The InChIKey is GQYANNGPHSUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-9-6-7-18-11(8-9)15-19-13(16)12(14(17)20-15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine has a molecular weight of 308.21 g/mol, XLogP of 4.81, 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-(4-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 115926418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).