2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one

C14H24N6O3 — CID 143832263

IUPAC2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(O)C1CNc2nc(N)[nH]c(=O)c2N1C(=O)C(N)C(C)C
InChIInChI=1S/C14H24N6O3/c1-4-8(21)7-5-17-11-10(12(22)19-14(16)18-11)20(7)13(23)9(15)6(2)3/h6-9,21H,4-5,15H2,1-3H3,(H4,16,17,18,19,22)
InChIKeyDWPBVZCRKIXSNP-UHFFFAOYSA-N
MW324.39 g/mol
LogP-0.77
Rot. Bonds4

About 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one

2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 143832263) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one
PubChem CID143832263
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Name2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(O)C1CNc2nc(N)[nH]c(=O)c2N1C(=O)C(N)C(C)C
InChIInChI=1S/C14H24N6O3/c1-4-8(21)7-5-17-11-10(12(22)19-14(16)18-11)20(7)13(23)9(15)6(2)3/h6-9,21H,4-5,15H2,1-3H3,(H4,16,17,18,19,22)
InChIKeyDWPBVZCRKIXSNP-UHFFFAOYSA-N
XLogP-0.77
TPSA150.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914671
bis(5-acetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one);2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 157097655
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5-[(2S)-pyrrolidine-2-carbonyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914681
2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
CID 163124560
N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
CID 136711734
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;pyrrolidine-2-carboxylic acid
CID 143832258
(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
CID 135566759
2-[[4-[[2-amino-5-(2-ethoxy-2-oxoacetyl)-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
CID 135402452
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]-methylamino]benzoyl]amino]pentanedioic acid
CID 139592917
2-amino-6-[(2S)-1,2-dihydroxyhexyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 170057866

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one (CID 143832263) is 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one is CCC(O)C1CNc2nc(N)[nH]c(=O)c2N1C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is DWPBVZCRKIXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-4-8(21)7-5-17-11-10(12(22)19-14(16)18-11)20(7)13(23)9(15)6(2)3/h6-9,21H,4-5,15H2,1-3H3,(H4,16,17,18,19,22).
What are the key properties of 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one?
2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 324.39 g/mol, XLogP of -0.77, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 143832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).