2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea

C10H13N5O — CID 114766555

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
SMILESCc1cc(C#N)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H13N5O/c1-7-4-8(6-11)5-9(15-7)13-2-3-14-10(12)16/h4-5H,2-3H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeyRYTUOXRGSGZZRM-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.34
Rot. Bonds4

About 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea

2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea (PubChem CID 114766555) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
PubChem CID114766555
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
SMILESCc1cc(C#N)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H13N5O/c1-7-4-8(6-11)5-9(15-7)13-2-3-14-10(12)16/h4-5H,2-3H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeyRYTUOXRGSGZZRM-UHFFFAOYSA-N
XLogP0.34
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
CID 114765429
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea (CID 114766555) is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea is Cc1cc(C#N)cc(NCCNC(N)=O)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea?
The InChIKey is RYTUOXRGSGZZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-4-8(6-11)5-9(15-7)13-2-3-14-10(12)16/h4-5H,2-3H2,1H3,(H,13,15)(H3,12,14,16).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea?
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea has a molecular weight of 219.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea is sourced from PubChem (CID 114766555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).