5-butyl-4,6-dichloropyrimidin-2-amine

C8H11Cl2N3 — CID 25418280

IUPAC5-butyl-4,6-dichloropyrimidin-2-amine
SMILESCCCCc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-2-3-4-5-6(9)12-8(11)13-7(5)10/h2-4H2,1H3,(H2,11,12,13)
InChIKeyIWIQQCQDKOXDOL-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.71
Rot. Bonds3

About 5-butyl-4,6-dichloropyrimidin-2-amine

5-butyl-4,6-dichloropyrimidin-2-amine (PubChem CID 25418280) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 5-butyl-4,6-dichloropyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4,6-dichloropyrimidin-2-amine
PubChem CID25418280
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name5-butyl-4,6-dichloropyrimidin-2-amine
SMILESCCCCc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-2-3-4-5-6(9)12-8(11)13-7(5)10/h2-4H2,1H3,(H2,11,12,13)
InChIKeyIWIQQCQDKOXDOL-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4,6-dichloropyrimidin-2-amine?
The IUPAC name of 5-butyl-4,6-dichloropyrimidin-2-amine (CID 25418280) is 5-butyl-4,6-dichloropyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4,6-dichloropyrimidin-2-amine?
The canonical SMILES for 5-butyl-4,6-dichloropyrimidin-2-amine is CCCCc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 5-butyl-4,6-dichloropyrimidin-2-amine?
The InChIKey is IWIQQCQDKOXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-2-3-4-5-6(9)12-8(11)13-7(5)10/h2-4H2,1H3,(H2,11,12,13).
What are the key properties of 5-butyl-4,6-dichloropyrimidin-2-amine?
5-butyl-4,6-dichloropyrimidin-2-amine has a molecular weight of 220.10 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4,6-dichloropyrimidin-2-amine is sourced from PubChem (CID 25418280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).