2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one

C15H18N6O — CID 143729124

IUPAC2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESCc1cnc(CN2CC(=O)Nc3cnc(N)nc32)c(C)c1C
InChIInChI=1S/C15H18N6O/c1-8-4-17-12(10(3)9(8)2)6-21-7-13(22)19-11-5-18-15(16)20-14(11)21/h4-5H,6-7H2,1-3H3,(H,19,22)(H2,16,18,20)
InChIKeyIGLJXHCOLXVKIZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one

2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one (PubChem CID 143729124) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
PubChem CID143729124
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESCc1cnc(CN2CC(=O)Nc3cnc(N)nc32)c(C)c1C
InChIInChI=1S/C15H18N6O/c1-8-4-17-12(10(3)9(8)2)6-21-7-13(22)19-11-5-18-15(16)20-14(11)21/h4-5H,6-7H2,1-3H3,(H,19,22)(H2,16,18,20)
InChIKeyIGLJXHCOLXVKIZ-UHFFFAOYSA-N
XLogP1.34
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one (CID 143729124) is 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one is Cc1cnc(CN2CC(=O)Nc3cnc(N)nc32)c(C)c1C.
What is the InChIKey of 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The InChIKey is IGLJXHCOLXVKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-8-4-17-12(10(3)9(8)2)6-21-7-13(22)19-11-5-18-15(16)20-14(11)21/h4-5H,6-7H2,1-3H3,(H,19,22)(H2,16,18,20).
What are the key properties of 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(3,4,5-trimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 143729124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).