2,6-dichloro-N-propylpyrimidin-4-amine

C7H9Cl2N3 — CID 15338432

IUPAC2,6-dichloro-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyIANUGQINIJIROT-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.61
Rot. Bonds3

About 2,6-dichloro-N-propylpyrimidin-4-amine

2,6-dichloro-N-propylpyrimidin-4-amine (PubChem CID 15338432) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 2,6-dichloro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-propylpyrimidin-4-amine
PubChem CID15338432
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name2,6-dichloro-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyIANUGQINIJIROT-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-propylpyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-propylpyrimidin-4-amine (CID 15338432) is 2,6-dichloro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-propylpyrimidin-4-amine is CCCNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-propylpyrimidin-4-amine?
The InChIKey is IANUGQINIJIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2,6-dichloro-N-propylpyrimidin-4-amine?
2,6-dichloro-N-propylpyrimidin-4-amine has a molecular weight of 206.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 15338432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).