1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea

C16H21ClN6O2 — CID 71150832

IUPAC1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea
SMILESCN(C)CCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(N)cn1
InChIInChI=1S/C16H21ClN6O2/c1-23(2)6-3-7-25-13-5-4-11(17)8-12(13)21-16(24)22-15-10-19-14(18)9-20-15/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,19)(H2,20,21,22,24)
InChIKeyXMHSEUYCWRQCEX-UHFFFAOYSA-N
MW364.84 g/mol
LogP2.69
Rot. Bonds7

About 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea

1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea (PubChem CID 71150832) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea.

Molecular Properties

Compound Name1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea
PubChem CID71150832
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea
SMILESCN(C)CCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(N)cn1
InChIInChI=1S/C16H21ClN6O2/c1-23(2)6-3-7-25-13-5-4-11(17)8-12(13)21-16(24)22-15-10-19-14(18)9-20-15/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,19)(H2,20,21,22,24)
InChIKeyXMHSEUYCWRQCEX-UHFFFAOYSA-N
XLogP2.69
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 18449131
3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylcarbamic acid
CID 18449142
2-amino-N-[3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propyl]-3-(4-chlorophenyl)propanamide
CID 11477867
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
CID 142167508
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea
CID 11516288
2-amino-N-[2-[4-chloro-2-[(5-cyano-2-pyridinyl)carbamoylamino]phenoxy]ethyl]-3-(4-chlorophenyl)propanamide
CID 143085126
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea?
The IUPAC name of 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea (CID 71150832) is 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea.
What is the SMILES notation for 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea?
The canonical SMILES for 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea is CN(C)CCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(N)cn1.
What is the InChIKey of 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea?
The InChIKey is XMHSEUYCWRQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-23(2)6-3-7-25-13-5-4-11(17)8-12(13)21-16(24)22-15-10-19-14(18)9-20-15/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,19)(H2,20,21,22,24).
What are the key properties of 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea?
1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea has a molecular weight of 364.84 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea is sourced from PubChem (CID 71150832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).