4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine

C10H13N5OS — CID 114053166

IUPAC4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C)c(C)s2)nc(N)n1
InChIInChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)14-7-4-8(16-3)15-9(11)13-7/h4H,1-3H3,(H3,11,12,13,14,15)
InChIKeyONMWZTYRNVGPIZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.88
Rot. Bonds3

About 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine

4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053166) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
PubChem CID114053166
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C)c(C)s2)nc(N)n1
InChIInChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)14-7-4-8(16-3)15-9(11)13-7/h4H,1-3H3,(H3,11,12,13,14,15)
InChIKeyONMWZTYRNVGPIZ-UHFFFAOYSA-N
XLogP1.88
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-4-N-(2-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053194
6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053207
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine
CID 80652908
4-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4,6-triamine
CID 114053167
4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
CID 114053114
N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 114870325
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9268603
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053016
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine (CID 114053166) is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine is COc1cc(Nc2nc(C)c(C)s2)nc(N)n1.
What is the InChIKey of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The InChIKey is ONMWZTYRNVGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)14-7-4-8(16-3)15-9(11)13-7/h4H,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).