6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine

C9H10BrN5S — CID 116796517

IUPAC6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)cc(Br)n1
InChIInChI=1S/C9H10BrN5S/c1-15(3-6-4-16-5-12-6)9-13-7(10)2-8(11)14-9/h2,4-5H,3H2,1H3,(H2,11,13,14)
InChIKeyAGJOBKXAJRPVHO-UHFFFAOYSA-N
MW300.19 g/mol
LogP1.91
Rot. Bonds3

About 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine

6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 116796517) has the molecular formula C9H10BrN5S and a molecular weight of 300.19 g/mol. Its IUPAC name is 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID116796517
Molecular FormulaC9H10BrN5S
Molecular Weight300.19 g/mol
Exact Mass298.98
IUPAC Name6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)cc(Br)n1
InChIInChI=1S/C9H10BrN5S/c1-15(3-6-4-16-5-12-6)9-13-7(10)2-8(11)14-9/h2,4-5H,3H2,1H3,(H2,11,13,14)
InChIKeyAGJOBKXAJRPVHO-UHFFFAOYSA-N
XLogP1.91
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62862931

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 116796517) is 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1cscn1)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is AGJOBKXAJRPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S/c1-15(3-6-4-16-5-12-6)9-13-7(10)2-8(11)14-9/h2,4-5H,3H2,1H3,(H2,11,13,14).
What are the key properties of 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 300.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).