2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one

C9H15N5O2 — CID 135626463

IUPAC2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
SMILESCC1Nc2c(nc(N)[nH]c2=O)NC1(C)CO
InChIInChI=1S/C9H15N5O2/c1-4-9(2,3-15)14-6-5(11-4)7(16)13-8(10)12-6/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16)
InChIKeyPAMRGDDTLVHJLM-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.67
Rot. Bonds1

About 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one

2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one (PubChem CID 135626463) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
PubChem CID135626463
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
SMILESCC1Nc2c(nc(N)[nH]c2=O)NC1(C)CO
InChIInChI=1S/C9H15N5O2/c1-4-9(2,3-15)14-6-5(11-4)7(16)13-8(10)12-6/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16)
InChIKeyPAMRGDDTLVHJLM-UHFFFAOYSA-N
XLogP-0.67
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one (CID 135626463) is 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one is CC1Nc2c(nc(N)[nH]c2=O)NC1(C)CO.
What is the InChIKey of 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The InChIKey is PAMRGDDTLVHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4-9(2,3-15)14-6-5(11-4)7(16)13-8(10)12-6/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16).
What are the key properties of 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one has a molecular weight of 225.25 g/mol, XLogP of -0.67, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one is sourced from PubChem (CID 135626463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).