6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine

C9H12N6OS — CID 80829595

IUPAC6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2scnc2C)n1
InChIInChI=1S/C9H12N6OS/c1-5-6(17-4-12-5)3-11-8-13-7(10)14-9(15-8)16-2/h4H,3H2,1-2H3,(H3,10,11,13,14,15)
InChIKeyBEIXLBAOAXSCIA-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.84
Rot. Bonds4

About 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80829595) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80829595
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2scnc2C)n1
InChIInChI=1S/C9H12N6OS/c1-5-6(17-4-12-5)3-11-8-13-7(10)14-9(15-8)16-2/h4H,3H2,1-2H3,(H3,10,11,13,14,15)
InChIKeyBEIXLBAOAXSCIA-UHFFFAOYSA-N
XLogP0.84
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280983
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457
4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63283548
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80812957
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80829595) is 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCc2scnc2C)n1.
What is the InChIKey of 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BEIXLBAOAXSCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-5-6(17-4-12-5)3-11-8-13-7(10)14-9(15-8)16-2/h4H,3H2,1-2H3,(H3,10,11,13,14,15).
What are the key properties of 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 252.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80829595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).