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

C9H15N5O — CID 135518060

IUPAC(6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCC[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15)/t5-/m0/s1
InChIKeyNABLTMGJMSJTNW-YFKPBYRVSA-N
MW209.25 g/mol
LogP0.36
Rot. Bonds2

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

(6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135518060) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135518060
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCC[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15)/t5-/m0/s1
InChIKeyNABLTMGJMSJTNW-YFKPBYRVSA-N
XLogP0.36
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135518060) is (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is CCC[C@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is NABLTMGJMSJTNW-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15)/t5-/m0/s1.
What are the key properties of (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135518060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).