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

C14H18N6OS — CID 91961867

IUPAC2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2nc(C)nc3c2NC(=O)C(C(C)C)N3)n1
InChIInChI=1S/C14H18N6OS/c1-6(2)9-13(21)19-10-11(18-9)16-8(4)17-12(10)20-14-15-7(3)5-22-14/h5-6,9H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyZSHUTQGNHSTVTP-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.68
Rot. Bonds3

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

2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961867) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961867
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2nc(C)nc3c2NC(=O)C(C(C)C)N3)n1
InChIInChI=1S/C14H18N6OS/c1-6(2)9-13(21)19-10-11(18-9)16-8(4)17-12(10)20-14-15-7(3)5-22-14/h5-6,9H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyZSHUTQGNHSTVTP-UHFFFAOYSA-N
XLogP2.68
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (CID 91961867) is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is Cc1csc(Nc2nc(C)nc3c2NC(=O)C(C(C)C)N3)n1.
What is the InChIKey of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is ZSHUTQGNHSTVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-6(2)9-13(21)19-10-11(18-9)16-8(4)17-12(10)20-14-15-7(3)5-22-14/h5-6,9H,1-4H3,(H,19,21)(H2,15,16,17,18,20).
What are the key properties of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 318.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).