(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one

C14H24N6O4 — CID 135914671

IUPAC(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
SMILESCC(C)[C@H](N)C(=O)N1c2c(nc(N)[nH]c2=O)NC[C@@H]1[C@@H](O)[C@H](C)O
InChIInChI=1S/C14H24N6O4/c1-5(2)8(15)13(24)20-7(10(22)6(3)21)4-17-11-9(20)12(23)19-14(16)18-11/h5-8,10,21-22H,4,15H2,1-3H3,(H4,16,17,18,19,23)/t6-,7+,8-,10-/m0/s1
InChIKeyWZDPVKCGTVXCTO-ODHVRURNSA-N
MW340.38 g/mol
LogP-1.80
Rot. Bonds4

About (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one

(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 135914671) has the molecular formula C14H24N6O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
PubChem CID135914671
Molecular FormulaC14H24N6O4
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
SMILESCC(C)[C@H](N)C(=O)N1c2c(nc(N)[nH]c2=O)NC[C@@H]1[C@@H](O)[C@H](C)O
InChIInChI=1S/C14H24N6O4/c1-5(2)8(15)13(24)20-7(10(22)6(3)21)4-17-11-9(20)12(23)19-14(16)18-11/h5-8,10,21-22H,4,15H2,1-3H3,(H4,16,17,18,19,23)/t6-,7+,8-,10-/m0/s1
InChIKeyWZDPVKCGTVXCTO-ODHVRURNSA-N
XLogP-1.80
TPSA170.59 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one (CID 135914671) is (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one is CC(C)[C@H](N)C(=O)N1c2c(nc(N)[nH]c2=O)NC[C@@H]1[C@@H](O)[C@H](C)O.
What is the InChIKey of (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is WZDPVKCGTVXCTO-ODHVRURNSA-N. The full InChI is InChI=1S/C14H24N6O4/c1-5(2)8(15)13(24)20-7(10(22)6(3)21)4-17-11-9(20)12(23)19-14(16)18-11/h5-8,10,21-22H,4,15H2,1-3H3,(H4,16,17,18,19,23)/t6-,7+,8-,10-/m0/s1.
What are the key properties of (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one?
(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 340.38 g/mol, XLogP of -1.80, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 135914671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).