5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H11Cl2N3 — CID 20546570

IUPAC5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2cc(Cl)ccc2Cl)CN1
InChIInChI=1S/C10H11Cl2N3/c11-7-1-2-9(12)8(3-7)6-4-14-10(13)15-5-6/h1-3,6H,4-5H2,(H3,13,14,15)
InChIKeyHKJJBXPRQSTQFZ-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.99
Rot. Bonds1

About 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546570) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546570
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC Name5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2cc(Cl)ccc2Cl)CN1
InChIInChI=1S/C10H11Cl2N3/c11-7-1-2-9(12)8(3-7)6-4-14-10(13)15-5-6/h1-3,6H,4-5H2,(H3,13,14,15)
InChIKeyHKJJBXPRQSTQFZ-UHFFFAOYSA-N
XLogP1.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546570) is 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCC(c2cc(Cl)ccc2Cl)CN1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is HKJJBXPRQSTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c11-7-1-2-9(12)8(3-7)6-4-14-10(13)15-5-6/h1-3,6H,4-5H2,(H3,13,14,15).
What are the key properties of 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 244.12 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).