2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one

C16H18N6O2 — CID 52945145

IUPAC2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCOc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O
InChIInChI=1S/C16H18N6O2/c1-8(2)22-13-11(9(3)19-16(17)21-13)20-12(15(22)23)10-6-5-7-18-14(10)24-4/h5-8H,1-4H3,(H2,17,19,21)
InChIKeyVSXXFSSAABKDHD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one

2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one (PubChem CID 52945145) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
PubChem CID52945145
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCOc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O
InChIInChI=1S/C16H18N6O2/c1-8(2)22-13-11(9(3)19-16(17)21-13)20-12(15(22)23)10-6-5-7-18-14(10)24-4/h5-8H,1-4H3,(H2,17,19,21)
InChIKeyVSXXFSSAABKDHD-UHFFFAOYSA-N
XLogP1.73
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The IUPAC name of 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one (CID 52945145) is 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one.
What is the SMILES notation for 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The canonical SMILES for 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one is COc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O.
What is the InChIKey of 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The InChIKey is VSXXFSSAABKDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-8(2)22-13-11(9(3)19-16(17)21-13)20-12(15(22)23)10-6-5-7-18-14(10)24-4/h5-8H,1-4H3,(H2,17,19,21).
What are the key properties of 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one has a molecular weight of 326.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one is sourced from PubChem (CID 52945145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).