5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

C10H16BrN3O — CID 66309177

IUPAC5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCNC(C)C)c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)12-4-5-14-6-13-8(3)9(11)10(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeyCAJLDJUDSFRWKN-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.31
Rot. Bonds4

About 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 66309177) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID66309177
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCNC(C)C)c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)12-4-5-14-6-13-8(3)9(11)10(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeyCAJLDJUDSFRWKN-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (CID 66309177) is 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is Cc1ncn(CCNC(C)C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is CAJLDJUDSFRWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)12-4-5-14-6-13-8(3)9(11)10(14)15/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 274.16 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66309177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).