5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine

C16H19BrClN3 — CID 66305370

IUPAC5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2)nc(CCC)c1Br
InChIInChI=1S/C16H19BrClN3/c1-3-5-13-14(17)16(19-10-4-2)21-15(20-13)11-6-8-12(18)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,19,20,21)
InChIKeyWQRMQBXSJSHYBE-UHFFFAOYSA-N
MW368.71 g/mol
LogP5.33
Rot. Bonds6

About 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 66305370) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID66305370
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2)nc(CCC)c1Br
InChIInChI=1S/C16H19BrClN3/c1-3-5-13-14(17)16(19-10-4-2)21-15(20-13)11-6-8-12(18)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,19,20,21)
InChIKeyWQRMQBXSJSHYBE-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine (CID 66305370) is 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Cl)cc2)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is WQRMQBXSJSHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-3-5-13-14(17)16(19-10-4-2)21-15(20-13)11-6-8-12(18)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 368.71 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66305370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).