N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide

C16H18Cl2N6O2 — CID 19137364

IUPACN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCCC1
InChIInChI=1S/C16H18Cl2N6O2/c17-10-3-4-12(11(18)7-10)26-8-13(25)22-23-15-14(19)16(21-9-20-15)24-5-1-2-6-24/h3-4,7,9H,1-2,5-6,8,19H2,(H,22,25)(H,20,21,23)
InChIKeyVFDLGSCBCMUJKY-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.49
Rot. Bonds6

About N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide

N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 19137364) has the molecular formula C16H18Cl2N6O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID19137364
Molecular FormulaC16H18Cl2N6O2
Molecular Weight397.27 g/mol
Exact Mass396.09
IUPAC NameN'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCCC1
InChIInChI=1S/C16H18Cl2N6O2/c17-10-3-4-12(11(18)7-10)26-8-13(25)22-23-15-14(19)16(21-9-20-15)24-5-1-2-6-24/h3-4,7,9H,1-2,5-6,8,19H2,(H,22,25)(H,20,21,23)
InChIKeyVFDLGSCBCMUJKY-UHFFFAOYSA-N
XLogP2.49
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[5-amino-6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142294
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146758
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19135292
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N'-[5-amino-6-(diethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136818
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19134901
2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
CID 23489626
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19149232
N'-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19147244
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146509
N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 135575699
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22542627

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide (CID 19137364) is N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide is Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCCC1.
What is the InChIKey of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is VFDLGSCBCMUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6O2/c17-10-3-4-12(11(18)7-10)26-8-13(25)22-23-15-14(19)16(21-9-20-15)24-5-1-2-6-24/h3-4,7,9H,1-2,5-6,8,19H2,(H,22,25)(H,20,21,23).
What are the key properties of N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide has a molecular weight of 397.27 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 19137364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).