4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine

C10H9ClN4 — CID 60995412

IUPAC4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine
SMILESCc1nc(-c2ncccn2)nc(Cl)c1C
InChIInChI=1S/C10H9ClN4/c1-6-7(2)14-10(15-8(6)11)9-12-4-3-5-13-9/h3-5H,1-2H3
InChIKeyITNNAWGNIVCWRJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.20
Rot. Bonds1

About 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine

4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine (PubChem CID 60995412) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine
PubChem CID60995412
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine
SMILESCc1nc(-c2ncccn2)nc(Cl)c1C
InChIInChI=1S/C10H9ClN4/c1-6-7(2)14-10(15-8(6)11)9-12-4-3-5-13-9/h3-5H,1-2H3
InChIKeyITNNAWGNIVCWRJ-UHFFFAOYSA-N
XLogP2.20
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine (CID 60995412) is 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine is Cc1nc(-c2ncccn2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine?
The InChIKey is ITNNAWGNIVCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-6-7(2)14-10(15-8(6)11)9-12-4-3-5-13-9/h3-5H,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine?
4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 60995412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).