1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea

C14H17N5O2 — CID 22046500

IUPAC1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnc(CN)cn1
InChIInChI=1S/C14H17N5O2/c1-9-3-4-12(21-2)11(5-9)18-14(20)19-13-8-16-10(6-15)7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyKGZMFKGWLZFSSD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.90
Rot. Bonds4

About 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 22046500) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID22046500
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnc(CN)cn1
InChIInChI=1S/C14H17N5O2/c1-9-3-4-12(21-2)11(5-9)18-14(20)19-13-8-16-10(6-15)7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyKGZMFKGWLZFSSD-UHFFFAOYSA-N
XLogP1.90
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea
CID 22046488
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
1-(carbamothioylamino)-3-(2-methoxy-5-methylphenyl)urea
CID 44725083

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 22046500) is 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1cnc(CN)cn1.
What is the InChIKey of 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is KGZMFKGWLZFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-3-4-12(21-2)11(5-9)18-14(20)19-13-8-16-10(6-15)7-17-13/h3-5,7-8H,6,15H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 287.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 22046500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).