1-[(4-amino-2-pyridinyl)methyl]-3-methylurea

C8H12N4O — CID 154843666

IUPAC1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(N)ccn1
InChIInChI=1S/C8H12N4O/c1-10-8(13)12-5-7-4-6(9)2-3-11-7/h2-4H,5H2,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyVWSKZJQSSWDFCS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.09
Rot. Bonds2

About 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea

1-[(4-amino-2-pyridinyl)methyl]-3-methylurea (PubChem CID 154843666) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
PubChem CID154843666
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(N)ccn1
InChIInChI=1S/C8H12N4O/c1-10-8(13)12-5-7-4-6(9)2-3-11-7/h2-4H,5H2,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyVWSKZJQSSWDFCS-UHFFFAOYSA-N
XLogP0.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea (CID 154843666) is 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea is CNC(=O)NCc1cc(N)ccn1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea?
The InChIKey is VWSKZJQSSWDFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-10-8(13)12-5-7-4-6(9)2-3-11-7/h2-4H,5H2,1H3,(H2,9,11)(H2,10,12,13).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea?
1-[(4-amino-2-pyridinyl)methyl]-3-methylurea has a molecular weight of 180.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]-3-methylurea is sourced from PubChem (CID 154843666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).