2-butyl-4,6-dichloro-5-propylpyrimidine

C11H16Cl2N2 — CID 79404356

IUPAC2-butyl-4,6-dichloro-5-propylpyrimidine
SMILESCCCCc1nc(Cl)c(CCC)c(Cl)n1
InChIInChI=1S/C11H16Cl2N2/c1-3-5-7-9-14-10(12)8(6-4-2)11(13)15-9/h3-7H2,1-2H3
InChIKeyDGSFLQZYCIINLC-UHFFFAOYSA-N
MW247.17 g/mol
LogP4.08
Rot. Bonds5

About 2-butyl-4,6-dichloro-5-propylpyrimidine

2-butyl-4,6-dichloro-5-propylpyrimidine (PubChem CID 79404356) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2-butyl-4,6-dichloro-5-propylpyrimidine.

Molecular Properties

Compound Name2-butyl-4,6-dichloro-5-propylpyrimidine
PubChem CID79404356
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name2-butyl-4,6-dichloro-5-propylpyrimidine
SMILESCCCCc1nc(Cl)c(CCC)c(Cl)n1
InChIInChI=1S/C11H16Cl2N2/c1-3-5-7-9-14-10(12)8(6-4-2)11(13)15-9/h3-7H2,1-2H3
InChIKeyDGSFLQZYCIINLC-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-2-methyl-
CID 3070103
2,4,6-Trichloro-5-ethylpyrimidine
CID 249455
5-Butyl-4,6-dichloropyrimidin-2-amine
CID 25418280
6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
CID 913023
Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-
CID 3025150
2,4,6-Trichloro-5-propylpyrimidine
CID 249012
2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
CID 260784
2,4,6-Trichloro-5-heptylpyrimidine
CID 260791
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
Pyrimidine, 4-amino-6-chloro-5-hexyl-2-methyl-
CID 3025148
Pyrimidine, 4-amino-6-chloro-2-methyl-5-pentyl-
CID 3025149
4,6-Dichloro-5-ethyl-2-methylpyrimidine
CID 21912425

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dichloro-5-propylpyrimidine?
The IUPAC name of 2-butyl-4,6-dichloro-5-propylpyrimidine (CID 79404356) is 2-butyl-4,6-dichloro-5-propylpyrimidine.
What is the SMILES notation for 2-butyl-4,6-dichloro-5-propylpyrimidine?
The canonical SMILES for 2-butyl-4,6-dichloro-5-propylpyrimidine is CCCCc1nc(Cl)c(CCC)c(Cl)n1.
What is the InChIKey of 2-butyl-4,6-dichloro-5-propylpyrimidine?
The InChIKey is DGSFLQZYCIINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-3-5-7-9-14-10(12)8(6-4-2)11(13)15-9/h3-7H2,1-2H3.
What are the key properties of 2-butyl-4,6-dichloro-5-propylpyrimidine?
2-butyl-4,6-dichloro-5-propylpyrimidine has a molecular weight of 247.17 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dichloro-5-propylpyrimidine is sourced from PubChem (CID 79404356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).