4,6-dichloro-2,5-dicyclopropylpyrimidine

C10H10Cl2N2 — CID 118990185

IUPAC4,6-dichloro-2,5-dicyclopropylpyrimidine
SMILESClc1nc(C2CC2)nc(Cl)c1C1CC1
InChIInChI=1S/C10H10Cl2N2/c11-8-7(5-1-2-5)9(12)14-10(13-8)6-3-4-6/h5-6H,1-4H2
InChIKeyNQMPKKZGNIBDED-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.54
Rot. Bonds2

About 4,6-dichloro-2,5-dicyclopropylpyrimidine

4,6-dichloro-2,5-dicyclopropylpyrimidine (PubChem CID 118990185) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 4,6-dichloro-2,5-dicyclopropylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2,5-dicyclopropylpyrimidine
PubChem CID118990185
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name4,6-dichloro-2,5-dicyclopropylpyrimidine
SMILESClc1nc(C2CC2)nc(Cl)c1C1CC1
InChIInChI=1S/C10H10Cl2N2/c11-8-7(5-1-2-5)9(12)14-10(13-8)6-3-4-6/h5-6H,1-4H2
InChIKeyNQMPKKZGNIBDED-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,5-dicyclopropylpyrimidine?
The IUPAC name of 4,6-dichloro-2,5-dicyclopropylpyrimidine (CID 118990185) is 4,6-dichloro-2,5-dicyclopropylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2,5-dicyclopropylpyrimidine?
The canonical SMILES for 4,6-dichloro-2,5-dicyclopropylpyrimidine is Clc1nc(C2CC2)nc(Cl)c1C1CC1.
What is the InChIKey of 4,6-dichloro-2,5-dicyclopropylpyrimidine?
The InChIKey is NQMPKKZGNIBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-8-7(5-1-2-5)9(12)14-10(13-8)6-3-4-6/h5-6H,1-4H2.
What are the key properties of 4,6-dichloro-2,5-dicyclopropylpyrimidine?
4,6-dichloro-2,5-dicyclopropylpyrimidine has a molecular weight of 229.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,5-dicyclopropylpyrimidine is sourced from PubChem (CID 118990185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).