4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C10H13N5OS — CID 106384084

IUPAC4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1ncnc(NCc2csc(=O)[nH]2)c1C
InChIInChI=1S/C10H13N5OS/c1-6-8(11-2)13-5-14-9(6)12-3-7-4-17-10(16)15-7/h4-5H,3H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyUFZXWPLRJQNGAI-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.19
Rot. Bonds4

About 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384084) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384084
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1ncnc(NCc2csc(=O)[nH]2)c1C
InChIInChI=1S/C10H13N5OS/c1-6-8(11-2)13-5-14-9(6)12-3-7-4-17-10(16)15-7/h4-5H,3H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyUFZXWPLRJQNGAI-UHFFFAOYSA-N
XLogP1.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383043
4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
4-[[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384261
4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
4-[[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384196
4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381996
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382210
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384084) is 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is CNc1ncnc(NCc2csc(=O)[nH]2)c1C.
What is the InChIKey of 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UFZXWPLRJQNGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-8(11-2)13-5-14-9(6)12-3-7-4-17-10(16)15-7/h4-5H,3H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).