1-[(6-chloro-2-pyridinyl)amino]-3-methylurea

C7H9ClN4O — CID 901019

IUPAC1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
SMILESCNC(=O)NNc1cccc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-9-7(13)12-11-6-4-2-3-5(8)10-6/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyGDYJEEHQZARXIV-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.99
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea

1-[(6-chloro-2-pyridinyl)amino]-3-methylurea (PubChem CID 901019) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
PubChem CID901019
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
SMILESCNC(=O)NNc1cccc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-9-7(13)12-11-6-4-2-3-5(8)10-6/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyGDYJEEHQZARXIV-UHFFFAOYSA-N
XLogP0.99
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea (CID 901019) is 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea is CNC(=O)NNc1cccc(Cl)n1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea?
The InChIKey is GDYJEEHQZARXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-9-7(13)12-11-6-4-2-3-5(8)10-6/h2-4H,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea?
1-[(6-chloro-2-pyridinyl)amino]-3-methylurea has a molecular weight of 200.63 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)amino]-3-methylurea is sourced from PubChem (CID 901019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).