1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea

C10H17N5O — CID 110492155

IUPAC1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1cnccn1
InChIInChI=1S/C10H17N5O/c1-15(2)7-3-4-13-10(16)14-9-8-11-5-6-12-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyJNZHKETVBDKMJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea

1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea (PubChem CID 110492155) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
PubChem CID110492155
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1cnccn1
InChIInChI=1S/C10H17N5O/c1-15(2)7-3-4-13-10(16)14-9-8-11-5-6-12-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyJNZHKETVBDKMJL-UHFFFAOYSA-N
XLogP0.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
CID 91485425
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
1,1-dibutyl-3-pyrazin-2-ylurea
CID 108893837
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea (CID 110492155) is 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea is CN(C)CCCNC(=O)Nc1cnccn1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea?
The InChIKey is JNZHKETVBDKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(2)7-3-4-13-10(16)14-9-8-11-5-6-12-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea?
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea has a molecular weight of 223.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).