1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

C13H17N7O2S — CID 58440828

IUPAC1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(N)n1)CC2
InChIInChI=1S/C13H17N7O2S/c1-15-12(21)19-13-16-7-3-4-20(6-8(7)23-13)9-5-10(22-2)18-11(14)17-9/h5H,3-4,6H2,1-2H3,(H2,14,17,18)(H2,15,16,19,21)
InChIKeyACBFMMQOCKPXSN-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.84
Rot. Bonds3

About 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (PubChem CID 58440828) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
PubChem CID58440828
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC Name1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(N)n1)CC2
InChIInChI=1S/C13H17N7O2S/c1-15-12(21)19-13-16-7-3-4-20(6-8(7)23-13)9-5-10(22-2)18-11(14)17-9/h5H,3-4,6H2,1-2H3,(H2,14,17,18)(H2,15,16,19,21)
InChIKeyACBFMMQOCKPXSN-UHFFFAOYSA-N
XLogP0.84
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The IUPAC name of 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (CID 58440828) is 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The canonical SMILES for 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is CNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(N)n1)CC2.
What is the InChIKey of 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The InChIKey is ACBFMMQOCKPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2S/c1-15-12(21)19-13-16-7-3-4-20(6-8(7)23-13)9-5-10(22-2)18-11(14)17-9/h5H,3-4,6H2,1-2H3,(H2,14,17,18)(H2,15,16,19,21).
What are the key properties of 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea has a molecular weight of 335.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is sourced from PubChem (CID 58440828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).