5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C14H16BrClN4O — CID 103445158

IUPAC5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H16BrClN4O/c1-3-6-18-13-11(15)10(8-21-2)19-14(20-13)12-9(16)5-4-7-17-12/h4-5,7H,3,6,8H2,1-2H3,(H,18,19,20)
InChIKeyJREGMLXHTYLFSC-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.92
Rot. Bonds6

About 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 103445158) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID103445158
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H16BrClN4O/c1-3-6-18-13-11(15)10(8-21-2)19-14(20-13)12-9(16)5-4-7-17-12/h4-5,7H,3,6,8H2,1-2H3,(H,18,19,20)
InChIKeyJREGMLXHTYLFSC-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 103445158) is 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ncccc2Cl)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is JREGMLXHTYLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-3-6-18-13-11(15)10(8-21-2)19-14(20-13)12-9(16)5-4-7-17-12/h4-5,7H,3,6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 371.67 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103445158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).