5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C16H17N5O3S — CID 87365127

IUPAC5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnc(N)s3)n2)cc(OC)c1OC
InChIInChI=1S/C16H17N5O3S/c1-22-11-6-9(7-12(23-2)14(11)24-3)20-16-18-5-4-10(21-16)13-8-19-15(17)25-13/h4-8H,1-3H3,(H2,17,19)(H,18,20,21)
InChIKeyNBMUQTSRPYZDQH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.95
Rot. Bonds6

About 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 87365127) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID87365127
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnc(N)s3)n2)cc(OC)c1OC
InChIInChI=1S/C16H17N5O3S/c1-22-11-6-9(7-12(23-2)14(11)24-3)20-16-18-5-4-10(21-16)13-8-19-15(17)25-13/h4-8H,1-3H3,(H2,17,19)(H,18,20,21)
InChIKeyNBMUQTSRPYZDQH-UHFFFAOYSA-N
XLogP2.95
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
N-(oxolan-2-ylmethyl)-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365492
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 69231092
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 170970744
5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87368526
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 58641651
N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
4-(1-benzofuran-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 171354201
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 154070294
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 87365127) is 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is COc1cc(Nc2nccc(-c3cnc(N)s3)n2)cc(OC)c1OC.
What is the InChIKey of 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is NBMUQTSRPYZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-22-11-6-9(7-12(23-2)14(11)24-3)20-16-18-5-4-10(21-16)13-8-19-15(17)25-13/h4-8H,1-3H3,(H2,17,19)(H,18,20,21).
What are the key properties of 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 359.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87365127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).