(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid

C8H12N4O2 — CID 100963390

IUPAC(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid
SMILESNc1cc(CC[C@H](N)C(=O)O)ncn1
InChIInChI=1S/C8H12N4O2/c9-6(8(13)14)2-1-5-3-7(10)12-4-11-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyBXEXGCKCUVQJML-LURJTMIESA-N
MW196.21 g/mol
LogP-0.60
Rot. Bonds4

About (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid

(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid (PubChem CID 100963390) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid
PubChem CID100963390
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid
SMILESNc1cc(CC[C@H](N)C(=O)O)ncn1
InChIInChI=1S/C8H12N4O2/c9-6(8(13)14)2-1-5-3-7(10)12-4-11-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyBXEXGCKCUVQJML-LURJTMIESA-N
XLogP-0.60
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-aminopyrimidin-4-yl)propan-2-one
CID 83857213
4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid
CID 83857232
6-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 83916654
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
2-amino-5-(2-amino-1H-imidazol-5-yl)pentanoic acid
CID 46237591
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid
CID 54058683
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-(7H-purin-6-yl)butanoic acid
CID 69404868
2-amino-4-pyrimidin-2-ylsulfanylbutanoic acid
CID 63035392
2-(6-aminopyrimidin-4-yl)-3-methylbutanoic acid
CID 83857226
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid (CID 100963390) is (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid is Nc1cc(CC[C@H](N)C(=O)O)ncn1.
What is the InChIKey of (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid?
The InChIKey is BXEXGCKCUVQJML-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6(8(13)14)2-1-5-3-7(10)12-4-11-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid?
(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 100963390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).