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

C7H11N5O — CID 135564797

IUPAC(6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m0/s1
InChIKeyHWOZEJJVUCALGB-VKHMYHEASA-N
MW181.20 g/mol
LogP-0.42
Rot. Bonds

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

(6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135564797) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135564797
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name(6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m0/s1
InChIKeyHWOZEJJVUCALGB-VKHMYHEASA-N
XLogP-0.42
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.42
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-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135564797) is (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is C[C@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is HWOZEJJVUCALGB-VKHMYHEASA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m0/s1.
What are the key properties of (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 181.20 g/mol, XLogP of -0.42, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135564797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).