2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H15N5O2 — CID 136638714

IUPAC2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC[C@H](O)C1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h4-5,12,15H,2-3H2,1H3,(H4,10,11,13,14,16)/t4?,5-/m0/s1
InChIKeyLMDFVBWEFDYPPU-AKGZTFGVSA-N
MW225.25 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 136638714) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID136638714
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC[C@H](O)C1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h4-5,12,15H,2-3H2,1H3,(H4,10,11,13,14,16)/t4?,5-/m0/s1
InChIKeyLMDFVBWEFDYPPU-AKGZTFGVSA-N
XLogP-0.67
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
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-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 136638714) is 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC[C@H](O)C1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is LMDFVBWEFDYPPU-AKGZTFGVSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h4-5,12,15H,2-3H2,1H3,(H4,10,11,13,14,16)/t4?,5-/m0/s1.
What are the key properties of 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 225.25 g/mol, XLogP of -0.67, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 136638714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).