(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one

C7H11N5O2 — CID 136694593

IUPAC(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one
SMILESC[C@H]1CN=C2N=C(N)NC(=O)C2(O)N1
InChIInChI=1S/C7H11N5O2/c1-3-2-9-4-7(14,12-3)5(13)11-6(8)10-4/h3,12,14H,2H2,1H3,(H3,8,9,10,11,13)/t3-,7?/m0/s1
InChIKeyLRQOEVGTDREQQD-NSJQTVLISA-N
MW197.20 g/mol
LogP-2.49
Rot. Bonds

About (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one

(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one (PubChem CID 136694593) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one
PubChem CID136694593
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one
SMILESC[C@H]1CN=C2N=C(N)NC(=O)C2(O)N1
InChIInChI=1S/C7H11N5O2/c1-3-2-9-4-7(14,12-3)5(13)11-6(8)10-4/h3,12,14H,2H2,1H3,(H3,8,9,10,11,13)/t3-,7?/m0/s1
InChIKeyLRQOEVGTDREQQD-NSJQTVLISA-N
XLogP-2.49
TPSA112.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 159919464
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7,8,8a-hexahydropteridin-4-one
CID 171124029
2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82997095
2-amino-6,9-dimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996603
2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one
CID 15121590
2-amino-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996861
2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohexane-1,3-dione
CID 54246117
3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]thiolan-3-ol;hydroiodide
CID 120970944
methyl 4-(4-amino-2-oxo-3,5,7,10,11-pentazatricyclo[6.2.2.01,6]dodeca-4,6-dien-10-yl)cyclohexa-1,3-diene-1-carboxylate
CID 163675432
2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
CID 12008284
2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 50998320
2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one
CID 133057029

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one?
The IUPAC name of (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one (CID 136694593) is (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one.
What is the SMILES notation for (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one?
The canonical SMILES for (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one is C[C@H]1CN=C2N=C(N)NC(=O)C2(O)N1.
What is the InChIKey of (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one?
The InChIKey is LRQOEVGTDREQQD-NSJQTVLISA-N. The full InChI is InChI=1S/C7H11N5O2/c1-3-2-9-4-7(14,12-3)5(13)11-6(8)10-4/h3,12,14H,2H2,1H3,(H3,8,9,10,11,13)/t3-,7?/m0/s1.
What are the key properties of (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one?
(6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one has a molecular weight of 197.20 g/mol, XLogP of -2.49, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-4a-hydroxy-6-methyl-3,5,6,7-tetrahydropteridin-4-one is sourced from PubChem (CID 136694593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).