5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine

C12H19BrN4O — CID 80780829

IUPAC5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCOCC2C)n1
InChIInChI=1S/C12H19BrN4O/c1-3-4-14-12-15-7-10(13)11(16-12)17-5-6-18-8-9(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyZNLMVBACXKXZQG-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine

5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine (PubChem CID 80780829) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
PubChem CID80780829
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCOCC2C)n1
InChIInChI=1S/C12H19BrN4O/c1-3-4-14-12-15-7-10(13)11(16-12)17-5-6-18-8-9(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyZNLMVBACXKXZQG-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine (CID 80780829) is 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCOCC2C)n1.
What is the InChIKey of 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine?
The InChIKey is ZNLMVBACXKXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-3-4-14-12-15-7-10(13)11(16-12)17-5-6-18-8-9(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine?
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine has a molecular weight of 315.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80780829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).