2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C18H18N6OS — CID 97253810

IUPAC2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(N[C@H](C)c2ncn[nH]2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H18N6OS/c1-11(16-19-10-20-24-16)21-17-15-13(12-6-4-3-5-7-12)9-26-18(15)23-14(22-17)8-25-2/h3-7,9-11H,8H2,1-2H3,(H,19,20,24)(H,21,22,23)/t11-/m1/s1
InChIKeyQJYOKAOVCAHOQC-LLVKDONJSA-N
MW366.45 g/mol
LogP3.80
Rot. Bonds6

About 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 97253810) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID97253810
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(N[C@H](C)c2ncn[nH]2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H18N6OS/c1-11(16-19-10-20-24-16)21-17-15-13(12-6-4-3-5-7-12)9-26-18(15)23-14(22-17)8-25-2/h3-7,9-11H,8H2,1-2H3,(H,19,20,24)(H,21,22,23)/t11-/m1/s1
InChIKeyQJYOKAOVCAHOQC-LLVKDONJSA-N
XLogP3.80
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 133279069
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133355680
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
[2-(2-methoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62251386

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 97253810) is 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is COCc1nc(N[C@H](C)c2ncn[nH]2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QJYOKAOVCAHOQC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-11(16-19-10-20-24-16)21-17-15-13(12-6-4-3-5-7-12)9-26-18(15)23-14(22-17)8-25-2/h3-7,9-11H,8H2,1-2H3,(H,19,20,24)(H,21,22,23)/t11-/m1/s1.
What are the key properties of 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 97253810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).