5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine

C10H9Cl2N3 — CID 162673140

IUPAC5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(Cl)c2)=CN1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-6(3-9(8)12)7-4-14-10(13)15-5-7/h1-4H,5H2,(H3,13,14,15)
InChIKeyQFQZUVFYUMXZOI-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.25
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine

5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine (PubChem CID 162673140) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine
PubChem CID162673140
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(Cl)c2)=CN1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-6(3-9(8)12)7-4-14-10(13)15-5-7/h1-4H,5H2,(H3,13,14,15)
InChIKeyQFQZUVFYUMXZOI-UHFFFAOYSA-N
XLogP2.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine (CID 162673140) is 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine is NC1=NCC(c2ccc(Cl)c(Cl)c2)=CN1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine?
The InChIKey is QFQZUVFYUMXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-2-1-6(3-9(8)12)7-4-14-10(13)15-5-7/h1-4H,5H2,(H3,13,14,15).
What are the key properties of 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine?
5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine has a molecular weight of 242.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 162673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).