4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine

C8H9Cl2N5 — CID 87373396

IUPAC4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine
SMILESCc1nc(Cl)c(NC2=NCCN2)c(Cl)n1
InChIInChI=1S/C8H9Cl2N5/c1-4-13-6(9)5(7(10)14-4)15-8-11-2-3-12-8/h2-3H2,1H3,(H2,11,12,15)
InChIKeyFRCNQZFYEPYVDZ-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.46
Rot. Bonds1

About 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine

4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine (PubChem CID 87373396) has the molecular formula C8H9Cl2N5 and a molecular weight of 246.10 g/mol. Its IUPAC name is 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine
PubChem CID87373396
Molecular FormulaC8H9Cl2N5
Molecular Weight246.10 g/mol
Exact Mass245.02
IUPAC Name4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine
SMILESCc1nc(Cl)c(NC2=NCCN2)c(Cl)n1
InChIInChI=1S/C8H9Cl2N5/c1-4-13-6(9)5(7(10)14-4)15-8-11-2-3-12-8/h2-3H2,1H3,(H2,11,12,15)
InChIKeyFRCNQZFYEPYVDZ-UHFFFAOYSA-N
XLogP1.46
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine?
The IUPAC name of 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine (CID 87373396) is 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine?
The canonical SMILES for 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine is Cc1nc(Cl)c(NC2=NCCN2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine?
The InChIKey is FRCNQZFYEPYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5/c1-4-13-6(9)5(7(10)14-4)15-8-11-2-3-12-8/h2-3H2,1H3,(H2,11,12,15).
What are the key properties of 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine?
4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine has a molecular weight of 246.10 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine is sourced from PubChem (CID 87373396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).