4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine

C18H18N8OS — CID 135241636

IUPAC4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23)
InChIKeyIEQLSIYQBOMDMD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.34
Rot. Bonds6

About 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine

4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 135241636) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID135241636
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23)
InChIKeyIEQLSIYQBOMDMD-UHFFFAOYSA-N
XLogP2.34
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[[6-(Difluoromethoxymethyl)pyridin-2-yl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 137440611
2-[6-[[4-[6-Amino-5-fluoro-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 168728177
3-[[6-(Oxolan-3-yloxymethyl)-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 44552754
7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 44554999
3-(6-Methoxymethylpyridin-2-ylmethyl)-7-(4-methylthiazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 44555151
N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 58801398
3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 66718484
2-N-(4-aminobutyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
CID 87160596
2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
CID 88587145
6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
CID 123359313
N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 123503726
2-[2-[(1-Methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
CID 123741409

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 135241636) is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is IEQLSIYQBOMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 394.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 135241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).