5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one

C14H18BrN5O — CID 80664522

IUPAC5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1cc(C)nc(Cn2c(C)ncc(Br)c2=O)n1
InChIInChI=1S/C14H18BrN5O/c1-4-5-16-12-6-9(2)18-13(19-12)8-20-10(3)17-7-11(15)14(20)21/h6-7H,4-5,8H2,1-3H3,(H,16,18,19)
InChIKeyJBPGDSLCXLYGCD-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.28
Rot. Bonds5

About 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one

5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one (PubChem CID 80664522) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
PubChem CID80664522
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1cc(C)nc(Cn2c(C)ncc(Br)c2=O)n1
InChIInChI=1S/C14H18BrN5O/c1-4-5-16-12-6-9(2)18-13(19-12)8-20-10(3)17-7-11(15)14(20)21/h6-7H,4-5,8H2,1-3H3,(H,16,18,19)
InChIKeyJBPGDSLCXLYGCD-UHFFFAOYSA-N
XLogP2.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
5-bromo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66309683
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
CID 66308590
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309889
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one (CID 80664522) is 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one is CCCNc1cc(C)nc(Cn2c(C)ncc(Br)c2=O)n1.
What is the InChIKey of 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one?
The InChIKey is JBPGDSLCXLYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-4-5-16-12-6-9(2)18-13(19-12)8-20-10(3)17-7-11(15)14(20)21/h6-7H,4-5,8H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one?
5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one has a molecular weight of 352.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80664522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).