5-butyl-6-chloropyrimidin-4-amine

C8H12ClN3 — CID 100590844

IUPAC5-butyl-6-chloropyrimidin-4-amine
SMILESCCCCc1c(N)ncnc1Cl
InChIInChI=1S/C8H12ClN3/c1-2-3-4-6-7(9)11-5-12-8(6)10/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyHWUCWIFCDCYYGO-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.05
Rot. Bonds3

About 5-butyl-6-chloropyrimidin-4-amine

5-butyl-6-chloropyrimidin-4-amine (PubChem CID 100590844) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 5-butyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-butyl-6-chloropyrimidin-4-amine
PubChem CID100590844
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name5-butyl-6-chloropyrimidin-4-amine
SMILESCCCCc1c(N)ncnc1Cl
InChIInChI=1S/C8H12ClN3/c1-2-3-4-6-7(9)11-5-12-8(6)10/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyHWUCWIFCDCYYGO-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-chloropyrimidin-4-amine?
The IUPAC name of 5-butyl-6-chloropyrimidin-4-amine (CID 100590844) is 5-butyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for 5-butyl-6-chloropyrimidin-4-amine?
The canonical SMILES for 5-butyl-6-chloropyrimidin-4-amine is CCCCc1c(N)ncnc1Cl.
What is the InChIKey of 5-butyl-6-chloropyrimidin-4-amine?
The InChIKey is HWUCWIFCDCYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-2-3-4-6-7(9)11-5-12-8(6)10/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 5-butyl-6-chloropyrimidin-4-amine?
5-butyl-6-chloropyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 100590844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).