1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea

C14H17N5O — CID 62848325

IUPAC1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2ccc(CN)cc2)cn1
InChIInChI=1S/C14H17N5O/c1-10-7-17-13(8-16-10)9-18-14(20)19-12-4-2-11(6-15)3-5-12/h2-5,7-8H,6,9,15H2,1H3,(H2,18,19,20)
InChIKeyOQVBXSOSSDDVMI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.57
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea

1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea (PubChem CID 62848325) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
PubChem CID62848325
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2ccc(CN)cc2)cn1
InChIInChI=1S/C14H17N5O/c1-10-7-17-13(8-16-10)9-18-14(20)19-12-4-2-11(6-15)3-5-12/h2-5,7-8H,6,9,15H2,1H3,(H2,18,19,20)
InChIKeyOQVBXSOSSDDVMI-UHFFFAOYSA-N
XLogP1.57
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
(5-methylpyrazin-2-yl)methylurea
CID 62845946
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
1-[4-(aminomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64529601
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-[4-(aminomethyl)phenyl]-3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]urea
CID 72845678
methyl 3-[4-[(5-chloropyrazin-2-yl)methylcarbamoylamino]phenyl]propanoate
CID 127266342
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105419458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea (CID 62848325) is 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea is Cc1cnc(CNC(=O)Nc2ccc(CN)cc2)cn1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The InChIKey is OQVBXSOSSDDVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-7-17-13(8-16-10)9-18-14(20)19-12-4-2-11(6-15)3-5-12/h2-5,7-8H,6,9,15H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea has a molecular weight of 271.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 62848325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).