2,4-dichloro-5-cyclopropylpyrimidine

C7H6Cl2N2 — CID 55270783

IUPAC2,4-dichloro-5-cyclopropylpyrimidine
SMILESClc1ncc(C2CC2)c(Cl)n1
InChIInChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2
InChIKeyKKSKKVUKDFJQMS-UHFFFAOYSA-N
MW189.04 g/mol
LogP2.66
Rot. Bonds1

About 2,4-dichloro-5-cyclopropylpyrimidine

2,4-dichloro-5-cyclopropylpyrimidine (PubChem CID 55270783) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.04 g/mol. Its IUPAC name is 2,4-dichloro-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-cyclopropylpyrimidine
PubChem CID55270783
Molecular FormulaC7H6Cl2N2
Molecular Weight189.04 g/mol
Exact Mass187.99
IUPAC Name2,4-dichloro-5-cyclopropylpyrimidine
SMILESClc1ncc(C2CC2)c(Cl)n1
InChIInChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2
InChIKeyKKSKKVUKDFJQMS-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-(beta-chloroethyl)pyrimidine
CID 56835046
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
2,4-Dichloro-5-ethylpyrimidine
CID 10012458
2,4-Dichloro-5-(propan-2-yl)pyrimidine
CID 21058690
5-Cyclopropylpyrimidin-2-amine
CID 45080433
6-Chloro-5-cyclopropylpyrimidin-4-amine
CID 46739895
2-Chloro-5-cyclopropylpyrimidine
CID 46864087
2-Bromo-5-cyclopropylpyrimidine
CID 66520099
2-Chloro-5-cyclopropylpyrimidin-4-amine
CID 89155427
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
5-Butylpyrimidine
CID 18952838

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-cyclopropylpyrimidine?
The IUPAC name of 2,4-dichloro-5-cyclopropylpyrimidine (CID 55270783) is 2,4-dichloro-5-cyclopropylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-cyclopropylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-cyclopropylpyrimidine is Clc1ncc(C2CC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-cyclopropylpyrimidine?
The InChIKey is KKSKKVUKDFJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2.
What are the key properties of 2,4-dichloro-5-cyclopropylpyrimidine?
2,4-dichloro-5-cyclopropylpyrimidine has a molecular weight of 189.04 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-cyclopropylpyrimidine is sourced from PubChem (CID 55270783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).