4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde

C9H11ClN6O2 — CID 155718761

IUPAC4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde
SMILESCNNc1cc(Cl)nc(N)n1.O=Cc1ncco1
InChIInChI=1S/C5H8ClN5.C4H3NO2/c1-8-11-4-2-3(6)9-5(7)10-4;6-3-4-5-1-2-7-4/h2,8H,1H3,(H3,7,9,10,11);1-3H
InChIKeyRODXLCDEWJPACU-UHFFFAOYSA-N
MW270.68 g/mol
LogP0.75
Rot. Bonds3

About 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde

4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde (PubChem CID 155718761) has the molecular formula C9H11ClN6O2 and a molecular weight of 270.68 g/mol. Its IUPAC name is 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde
PubChem CID155718761
Molecular FormulaC9H11ClN6O2
Molecular Weight270.68 g/mol
Exact Mass270.06
IUPAC Name4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde
SMILESCNNc1cc(Cl)nc(N)n1.O=Cc1ncco1
InChIInChI=1S/C5H8ClN5.C4H3NO2/c1-8-11-4-2-3(6)9-5(7)10-4;6-3-4-5-1-2-7-4/h2,8H,1H3,(H3,7,9,10,11);1-3H
InChIKeyRODXLCDEWJPACU-UHFFFAOYSA-N
XLogP0.75
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 156340560
CID 167601114
CID 167601114
CID 103718695
CID 103718695
CID 106375478
CID 106375478
CID 106375507
CID 106375507
CID 106378972
CID 106378972
CID 106378974
CID 106378974
CID 106378988
CID 106378988
CID 106379018
CID 106379018
CID 114180776
CID 114180776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde (CID 155718761) is 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde is CNNc1cc(Cl)nc(N)n1.O=Cc1ncco1.
What is the InChIKey of 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde?
The InChIKey is RODXLCDEWJPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN5.C4H3NO2/c1-8-11-4-2-3(6)9-5(7)10-4;6-3-4-5-1-2-7-4/h2,8H,1H3,(H3,7,9,10,11);1-3H.
What are the key properties of 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde?
4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde has a molecular weight of 270.68 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 155718761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).