4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one

C14H18N6OS — CID 91961545

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESCC1Nc2ncnc(Nc3nc(C(C)(C)C)cs3)c2NC1=O
InChIInChI=1S/C14H18N6OS/c1-7-12(21)19-9-10(17-7)15-6-16-11(9)20-13-18-8(5-22-13)14(2,3)4/h5-7H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyFAZXEALQEKZBNL-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.73
Rot. Bonds2

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961545) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961545
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESCC1Nc2ncnc(Nc3nc(C(C)(C)C)cs3)c2NC1=O
InChIInChI=1S/C14H18N6OS/c1-7-12(21)19-9-10(17-7)15-6-16-11(9)20-13-18-8(5-22-13)14(2,3)4/h5-7H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyFAZXEALQEKZBNL-UHFFFAOYSA-N
XLogP2.73
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one (CID 91961545) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one is CC1Nc2ncnc(Nc3nc(C(C)(C)C)cs3)c2NC1=O.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is FAZXEALQEKZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-7-12(21)19-9-10(17-7)15-6-16-11(9)20-13-18-8(5-22-13)14(2,3)4/h5-7H,1-4H3,(H,19,21)(H2,15,16,17,18,20).
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 318.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).