5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine

C10H16BrN3O — CID 66307745

IUPAC5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COC)nc(NC)c1Br
InChIInChI=1S/C10H16BrN3O/c1-4-5-7-9(11)10(12-2)14-8(13-7)6-15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyQVUBBSDSMTWYOV-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.38
Rot. Bonds5

About 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66307745) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66307745
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COC)nc(NC)c1Br
InChIInChI=1S/C10H16BrN3O/c1-4-5-7-9(11)10(12-2)14-8(13-7)6-15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyQVUBBSDSMTWYOV-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-6-(methoxymethyl)-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298207
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine (CID 66307745) is 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(COC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is QVUBBSDSMTWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-5-7-9(11)10(12-2)14-8(13-7)6-15-3/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).