5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine

C14H19BrN4OS — CID 66300780

IUPAC5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2csc(C)n2)nc(COC)c1Br
InChIInChI=1S/C14H19BrN4OS/c1-4-5-16-14-13(15)11(7-20-3)18-12(19-14)6-10-8-21-9(2)17-10/h8H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyXWPGSSXRXKOKPB-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.56
Rot. Bonds7

About 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 66300780) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
PubChem CID66300780
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2csc(C)n2)nc(COC)c1Br
InChIInChI=1S/C14H19BrN4OS/c1-4-5-16-14-13(15)11(7-20-3)18-12(19-14)6-10-8-21-9(2)17-10/h8H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyXWPGSSXRXKOKPB-UHFFFAOYSA-N
XLogP3.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300767
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66298396
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66304558
5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66301993
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine (CID 66300780) is 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2csc(C)n2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is XWPGSSXRXKOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c1-4-5-16-14-13(15)11(7-20-3)18-12(19-14)6-10-8-21-9(2)17-10/h8H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 371.30 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66300780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).