2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one

C19H22N6O3 — CID 46182743

IUPAC2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
SMILESCOc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1
InChIInChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24)
InChIKeyFICWXAPOGIEJJR-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one

2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one (PubChem CID 46182743) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
PubChem CID46182743
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
SMILESCOc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1
InChIInChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24)
InChIKeyFICWXAPOGIEJJR-UHFFFAOYSA-N
XLogP1.62
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one (CID 46182743) is 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one is COc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one?
The InChIKey is FICWXAPOGIEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one has a molecular weight of 382.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one is sourced from PubChem (CID 46182743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).