N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide

C21H17ClN6O — CID 19148702

IUPACN'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESNc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN6O/c22-14-8-10-15(11-9-14)26-19-18(23)20(25-12-24-19)27-28-21(29)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyRIYROQUHPMRVSG-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.37
Rot. Bonds5

About N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide

N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide (PubChem CID 19148702) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
PubChem CID19148702
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC NameN'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESNc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN6O/c22-14-8-10-15(11-9-14)26-19-18(23)20(25-12-24-19)27-28-21(29)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyRIYROQUHPMRVSG-UHFFFAOYSA-N
XLogP4.37
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.37
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-(3-chloro-4-methylanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22546682
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[6-(4-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22532865
N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19141332
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide (CID 19148702) is N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide is Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Cl)cc1.
What is the InChIKey of N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The InChIKey is RIYROQUHPMRVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c22-14-8-10-15(11-9-14)26-19-18(23)20(25-12-24-19)27-28-21(29)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,23H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide?
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide has a molecular weight of 404.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 19148702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).