2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C10H17N5O2 — CID 135674619

IUPAC2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)OCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O2/c1-5(2)17-4-6-3-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyCBKWSFVHFUICDD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.02
Rot. Bonds3

About 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135674619) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135674619
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)OCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O2/c1-5(2)17-4-6-3-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyCBKWSFVHFUICDD-UHFFFAOYSA-N
XLogP-0.02
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135674619) is 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(C)OCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is CBKWSFVHFUICDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-5(2)17-4-6-3-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16).
What are the key properties of 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 239.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135674619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).