5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

C16H20BrN3O — CID 116776623

IUPAC5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)c2ccccc2)nc(NC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-8-12-13(17)15(18-2)20-16(19-12)14(21-3)11-9-6-5-7-10-11/h5-7,9-10,14H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyPSFDXVHUEXRWON-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.97
Rot. Bonds6

About 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 116776623) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID116776623
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)c2ccccc2)nc(NC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-8-12-13(17)15(18-2)20-16(19-12)14(21-3)11-9-6-5-7-10-11/h5-7,9-10,14H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyPSFDXVHUEXRWON-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777350
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 116776857
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (CID 116776623) is 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(C(OC)c2ccccc2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is PSFDXVHUEXRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-8-12-13(17)15(18-2)20-16(19-12)14(21-3)11-9-6-5-7-10-11/h5-7,9-10,14H,4,8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).