1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea

C10H17N5S — CID 57133698

IUPAC1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea
SMILESCNC(=S)NCC(N)CCc1cnccn1
InChIInChI=1S/C10H17N5S/c1-12-10(16)15-6-8(11)2-3-9-7-13-4-5-14-9/h4-5,7-8H,2-3,6,11H2,1H3,(H2,12,15,16)
InChIKeyUZFIJHYSSUDRBF-UHFFFAOYSA-N
MW239.35 g/mol
LogP-0.17
Rot. Bonds5

About 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea

1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea (PubChem CID 57133698) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea
PubChem CID57133698
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea
SMILESCNC(=S)NCC(N)CCc1cnccn1
InChIInChI=1S/C10H17N5S/c1-12-10(16)15-6-8(11)2-3-9-7-13-4-5-14-9/h4-5,7-8H,2-3,6,11H2,1H3,(H2,12,15,16)
InChIKeyUZFIJHYSSUDRBF-UHFFFAOYSA-N
XLogP-0.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Pyrazinedipentanamine
CID 3804270
1-Cyclohexyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 76143998
4-(Pyrazin-2-yl)butan-1-amine
CID 15035006
N-methyl-1-pyrazin-2-ylpropan-2-amine
CID 16640583
N,N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 17786421
1-Methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea
CID 20557621
1-Methyl-3-[2-(2-pyrazin-2-ylethylsulfanyl)ethyl]thiourea
CID 20557623
5-Ethyl-1-methyl-5-pyrazin-2-yl-1,3-diazinane-4-thione
CID 21539493
2-pyrazin-2-yl-N-(pyrrolidin-1-ylmethyl)ethanethioamide
CID 21566887
1-Cyano-2-methyl-3-(4-pyrazin-2-ylbutyl)guanidine
CID 54080496
2-pyrazin-2-yl-N-(pyrrolidin-1-ylmethyl)butanethioamide
CID 54235777
1-Pyrazin-2-ylbutan-2-amine
CID 62762929

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea?
The IUPAC name of 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea (CID 57133698) is 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea?
The canonical SMILES for 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea is CNC(=S)NCC(N)CCc1cnccn1.
What is the InChIKey of 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea?
The InChIKey is UZFIJHYSSUDRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-12-10(16)15-6-8(11)2-3-9-7-13-4-5-14-9/h4-5,7-8H,2-3,6,11H2,1H3,(H2,12,15,16).
What are the key properties of 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea?
1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea has a molecular weight of 239.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyrazin-2-ylbutyl)-3-methylthiourea is sourced from PubChem (CID 57133698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).