5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

C10H11BrN4OS — CID 103745889

IUPAC5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cscn2)ncc1Br
InChIInChI=1S/C10H11BrN4OS/c1-15(4-7-5-17-6-13-7)10-12-3-8(11)9(14-10)16-2/h3,5-6H,4H2,1-2H3
InChIKeyJEWFEWJOSGCQHP-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 103745889) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID103745889
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cscn2)ncc1Br
InChIInChI=1S/C10H11BrN4OS/c1-15(4-7-5-17-6-13-7)10-12-3-8(11)9(14-10)16-2/h3,5-6H,4H2,1-2H3
InChIKeyJEWFEWJOSGCQHP-UHFFFAOYSA-N
XLogP2.34
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (CID 103745889) is 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is COc1nc(N(C)Cc2cscn2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is JEWFEWJOSGCQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-15(4-7-5-17-6-13-7)10-12-3-8(11)9(14-10)16-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 315.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 103745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).