4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine

C14H15Cl2N3 — CID 158757005

IUPAC4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C14H15Cl2N3/c1-8(2)6-9-7-12(19-14(17)18-9)10-4-3-5-11(15)13(10)16/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19)
InChIKeyBBYQDBUHWGVRDG-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.23
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine

4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 158757005) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
PubChem CID158757005
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C14H15Cl2N3/c1-8(2)6-9-7-12(19-14(17)18-9)10-4-3-5-11(15)13(10)16/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19)
InChIKeyBBYQDBUHWGVRDG-UHFFFAOYSA-N
XLogP4.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine (CID 158757005) is 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine is CC(C)Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is BBYQDBUHWGVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-8(2)6-9-7-12(19-14(17)18-9)10-4-3-5-11(15)13(10)16/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine?
4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 296.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 158757005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).