2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one

C20H28N6O2 — CID 45273203

IUPAC2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(C)nc(N)nc32)c1C
InChIInChI=1S/C20H28N6O2/c1-11(2)8-26-16(27)10-25(19-17(26)14(5)23-20(21)24-19)9-15-13(4)18(28-6)12(3)7-22-15/h7,11H,8-10H2,1-6H3,(H2,21,23,24)
InChIKeyNYLUSRPUJTXLAN-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one

2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one (PubChem CID 45273203) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one
PubChem CID45273203
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(C)nc(N)nc32)c1C
InChIInChI=1S/C20H28N6O2/c1-11(2)8-26-16(27)10-25(19-17(26)14(5)23-20(21)24-19)9-15-13(4)18(28-6)12(3)7-22-15/h7,11H,8-10H2,1-6H3,(H2,21,23,24)
InChIKeyNYLUSRPUJTXLAN-UHFFFAOYSA-N
XLogP2.40
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one?
The IUPAC name of 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one (CID 45273203) is 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one.
What is the SMILES notation for 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one?
The canonical SMILES for 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one is COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(C)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one?
The InChIKey is NYLUSRPUJTXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-11(2)8-26-16(27)10-25(19-17(26)14(5)23-20(21)24-19)9-15-13(4)18(28-6)12(3)7-22-15/h7,11H,8-10H2,1-6H3,(H2,21,23,24).
What are the key properties of 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one?
2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one has a molecular weight of 384.48 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one is sourced from PubChem (CID 45273203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).