1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea

C12H10Cl3N5O — CID 122194201

IUPAC1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
SMILESNc1ncc(Cl)nc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl3N5O/c13-7-2-1-6(3-8(7)14)19-12(21)18-4-9-11(16)17-5-10(15)20-9/h1-3,5H,4H2,(H2,16,17)(H2,18,19,21)
InChIKeyYTICONKGHBUNKO-UHFFFAOYSA-N
MW346.61 g/mol
LogP3.34
Rot. Bonds3

About 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea

1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 122194201) has the molecular formula C12H10Cl3N5O and a molecular weight of 346.61 g/mol. Its IUPAC name is 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
PubChem CID122194201
Molecular FormulaC12H10Cl3N5O
Molecular Weight346.61 g/mol
Exact Mass345.00
IUPAC Name1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
SMILESNc1ncc(Cl)nc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl3N5O/c13-7-2-1-6(3-8(7)14)19-12(21)18-4-9-11(16)17-5-10(15)20-9/h1-3,5H,4H2,(H2,16,17)(H2,18,19,21)
InChIKeyYTICONKGHBUNKO-UHFFFAOYSA-N
XLogP3.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 64531467
1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 122194206

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea (CID 122194201) is 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea is Nc1ncc(Cl)nc1CNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is YTICONKGHBUNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N5O/c13-7-2-1-6(3-8(7)14)19-12(21)18-4-9-11(16)17-5-10(15)20-9/h1-3,5H,4H2,(H2,16,17)(H2,18,19,21).
What are the key properties of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 346.61 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 122194201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).