(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride

C9H17Cl2N5O — CID 119851731

IUPAC(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCNc1cnccn1.Cl.Cl
InChIInChI=1S/C9H15N5O.2ClH/c1-7(10)9(15)14-5-4-13-8-6-11-2-3-12-8;;/h2-3,6-7H,4-5,10H2,1H3,(H,12,13)(H,14,15);2*1H/t7-;;/m1../s1
InChIKeyWSVVDRLWGYUBRI-XCUBXKJBSA-N
MW282.17 g/mol
LogP0.20
Rot. Bonds5

About (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride (PubChem CID 119851731) has the molecular formula C9H17Cl2N5O and a molecular weight of 282.17 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
PubChem CID119851731
Molecular FormulaC9H17Cl2N5O
Molecular Weight282.17 g/mol
Exact Mass281.08
IUPAC Name(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCNc1cnccn1.Cl.Cl
InChIInChI=1S/C9H15N5O.2ClH/c1-7(10)9(15)14-5-4-13-8-6-11-2-3-12-8;;/h2-3,6-7H,4-5,10H2,1H3,(H,12,13)(H,14,15);2*1H/t7-;;/m1../s1
InChIKeyWSVVDRLWGYUBRI-XCUBXKJBSA-N
XLogP0.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
2-methyl-3-(pyrazin-2-ylamino)propanoic acid
CID 62676796
1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 51096149
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929
2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 76893313
6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-2-carboxamide
CID 38583271
1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methyl-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 97089114
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
(2R)-2-(pyrazin-2-ylamino)propanamide
CID 93037330
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
N-[2-(2-methylpropoxy)ethyl]pyrazin-2-amine
CID 115586229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride (CID 119851731) is (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCCNc1cnccn1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride?
The InChIKey is WSVVDRLWGYUBRI-XCUBXKJBSA-N. The full InChI is InChI=1S/C9H15N5O.2ClH/c1-7(10)9(15)14-5-4-13-8-6-11-2-3-12-8;;/h2-3,6-7H,4-5,10H2,1H3,(H,12,13)(H,14,15);2*1H/t7-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119851731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).