5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine

C14H15BrClN3 — CID 66306930

IUPAC5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cccc(Cl)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrClN3/c1-2-4-11-13(15)14(17)19-12(18-11)8-9-5-3-6-10(16)7-9/h3,5-7H,2,4,8H2,1H3,(H2,17,18,19)
InChIKeyBCIVLUWITCDPOF-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine

5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 66306930) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID66306930
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cccc(Cl)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrClN3/c1-2-4-11-13(15)14(17)19-12(18-11)8-9-5-3-6-10(16)7-9/h3,5-7H,2,4,8H2,1H3,(H2,17,18,19)
InChIKeyBCIVLUWITCDPOF-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine (CID 66306930) is 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1nc(Cc2cccc(Cl)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is BCIVLUWITCDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-2-4-11-13(15)14(17)19-12(18-11)8-9-5-3-6-10(16)7-9/h3,5-7H,2,4,8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine?
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).