4,6-dichloro-5-cyclopropylpyrimidine

C7H6Cl2N2 — CID 54414281

IUPAC4,6-dichloro-5-cyclopropylpyrimidine
SMILESClc1ncnc(Cl)c1C1CC1
InChIInChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)7(9)11-3-10-6/h3-4H,1-2H2
InChIKeyQYJUWWNELQCTCV-UHFFFAOYSA-N
MW189.04 g/mol
LogP2.66
Rot. Bonds1

About 4,6-dichloro-5-cyclopropylpyrimidine

4,6-dichloro-5-cyclopropylpyrimidine (PubChem CID 54414281) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.04 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopropylpyrimidine
PubChem CID54414281
Molecular FormulaC7H6Cl2N2
Molecular Weight189.04 g/mol
Exact Mass187.99
IUPAC Name4,6-dichloro-5-cyclopropylpyrimidine
SMILESClc1ncnc(Cl)c1C1CC1
InChIInChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)7(9)11-3-10-6/h3-4H,1-2H2
InChIKeyQYJUWWNELQCTCV-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-cyclopropylpyrimidine
CID 55270783
2,4,6-Trichloro-5-propylpyrimidine
CID 249012
2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
CID 260784
4,6-Dichloro-5-(propan-2-yl)pyrimidine
CID 22138881
6-Chloro-5-cyclopropylpyrimidin-4-amine
CID 46739895
2-Chloro-5-cyclopropylpyrimidine
CID 46864087
5-Allyl-4,6-dichloropyrimidine
CID 519208
5-Butan-2-yl-2,4,6-trichloropyrimidine
CID 260781
2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine
CID 260785
4,6-Dichloro-5-(prop-2-yn-1-yl)pyrimidine
CID 130115592
2,4-Dichloro-5-(1-(trifluoromethyl)cyclopropyl)pyrimidine
CID 166636813
4,6-Dichloro-5-ethylpyrimidine
CID 21828432

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopropylpyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopropylpyrimidine (CID 54414281) is 4,6-dichloro-5-cyclopropylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopropylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopropylpyrimidine is Clc1ncnc(Cl)c1C1CC1.
What is the InChIKey of 4,6-dichloro-5-cyclopropylpyrimidine?
The InChIKey is QYJUWWNELQCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)7(9)11-3-10-6/h3-4H,1-2H2.
What are the key properties of 4,6-dichloro-5-cyclopropylpyrimidine?
4,6-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 4,6-dichloro-5-cyclopropylpyrimidine is sourced from PubChem (CID 54414281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).