2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine

C12H13Cl3N4 — CID 158691450

IUPAC2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
SMILESCC(C)Cc1ccnc(Cl)n1.Clc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2.C4H2Cl2N2/c1-6(2)5-7-3-4-10-8(9)11-7;5-3-1-2-7-4(6)8-3/h3-4,6H,5H2,1-2H3;1-2H
InChIKeyIGJZCEWZSRYQBK-UHFFFAOYSA-N
MW319.62 g/mol
LogP4.11
Rot. Bonds2

About 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine

2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine (PubChem CID 158691450) has the molecular formula C12H13Cl3N4 and a molecular weight of 319.62 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
PubChem CID158691450
Molecular FormulaC12H13Cl3N4
Molecular Weight319.62 g/mol
Exact Mass318.02
IUPAC Name2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
SMILESCC(C)Cc1ccnc(Cl)n1.Clc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2.C4H2Cl2N2/c1-6(2)5-7-3-4-10-8(9)11-7;5-3-1-2-7-4(6)8-3/h3-4,6H,5H2,1-2H3;1-2H
InChIKeyIGJZCEWZSRYQBK-UHFFFAOYSA-N
XLogP4.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.62
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine (CID 158691450) is 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine is CC(C)Cc1ccnc(Cl)n1.Clc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine?
The InChIKey is IGJZCEWZSRYQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.C4H2Cl2N2/c1-6(2)5-7-3-4-10-8(9)11-7;5-3-1-2-7-4(6)8-3/h3-4,6H,5H2,1-2H3;1-2H.
What are the key properties of 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine?
2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine has a molecular weight of 319.62 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine is sourced from PubChem (CID 158691450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).