N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide

C18H16Cl2N6O — CID 19146756

IUPACN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N6O/c19-12-6-7-13(20)14(9-12)24-17-16(21)18(23-10-22-17)26-25-15(27)8-11-4-2-1-3-5-11/h1-7,9-10H,8,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyRTKUDSFBGJWPPJ-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.80
Rot. Bonds6

About N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide

N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 19146756) has the molecular formula C18H16Cl2N6O and a molecular weight of 403.27 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID19146756
Molecular FormulaC18H16Cl2N6O
Molecular Weight403.27 g/mol
Exact Mass402.08
IUPAC NameN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N6O/c19-12-6-7-13(20)14(9-12)24-17-16(21)18(23-10-22-17)26-25-15(27)8-11-4-2-1-3-5-11/h1-7,9-10H,8,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyRTKUDSFBGJWPPJ-UHFFFAOYSA-N
XLogP3.80
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146758
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152277
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147596
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide (CID 19146756) is N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide is Nc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is RTKUDSFBGJWPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O/c19-12-6-7-13(20)14(9-12)24-17-16(21)18(23-10-22-17)26-25-15(27)8-11-4-2-1-3-5-11/h1-7,9-10H,8,21H2,(H,25,27)(H2,22,23,24,26).
What are the key properties of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 403.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 19146756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).