5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

C14H24BrN3O — CID 66308409

IUPAC5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCNC(C)CCC(C)C
InChIInChI=1S/C14H24BrN3O/c1-10(2)5-6-11(3)16-7-8-18-12(4)17-9-13(15)14(18)19/h9-11,16H,5-8H2,1-4H3
InChIKeyFPWXJSHEISMLJC-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.73
Rot. Bonds7

About 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 66308409) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID66308409
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCNC(C)CCC(C)C
InChIInChI=1S/C14H24BrN3O/c1-10(2)5-6-11(3)16-7-8-18-12(4)17-9-13(15)14(18)19/h9-11,16H,5-8H2,1-4H3
InChIKeyFPWXJSHEISMLJC-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (CID 66308409) is 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CCNC(C)CCC(C)C.
What is the InChIKey of 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is FPWXJSHEISMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-10(2)5-6-11(3)16-7-8-18-12(4)17-9-13(15)14(18)19/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 330.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66308409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).