5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

C9H11N5S — CID 103359219

IUPAC5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nccc(CNc2cc(N)ns2)n1
InChIInChI=1S/C9H11N5S/c1-6-11-3-2-7(13-6)5-12-9-4-8(10)14-15-9/h2-4,12H,5H2,1H3,(H2,10,14)
InChIKeySGGSSZQQPISQNX-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.44
Rot. Bonds3

About 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359219) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359219
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nccc(CNc2cc(N)ns2)n1
InChIInChI=1S/C9H11N5S/c1-6-11-3-2-7(13-6)5-12-9-4-8(10)14-15-9/h2-4,12H,5H2,1H3,(H2,10,14)
InChIKeySGGSSZQQPISQNX-UHFFFAOYSA-N
XLogP1.44
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359216
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 115550367
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 131187148
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304782

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359219) is 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1nccc(CNc2cc(N)ns2)n1.
What is the InChIKey of 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is SGGSSZQQPISQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-11-3-2-7(13-6)5-12-9-4-8(10)14-15-9/h2-4,12H,5H2,1H3,(H2,10,14).
What are the key properties of 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).