N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide

C18H17ClN6O2 — CID 19149115

IUPACN'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc1
InChIInChI=1S/C18H17ClN6O2/c1-27-12-8-6-11(7-9-12)23-16-15(20)17(22-10-21-16)24-25-18(26)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyXGEMHARFBBEOKW-UHFFFAOYSA-N
MW384.83 g/mol
LogP3.22
Rot. Bonds6

About N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide

N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 19149115) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID19149115
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC NameN'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc1
InChIInChI=1S/C18H17ClN6O2/c1-27-12-8-6-11(7-9-12)23-16-15(20)17(22-10-21-16)24-25-18(26)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyXGEMHARFBBEOKW-UHFFFAOYSA-N
XLogP3.22
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22546682
2-chloro-N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533514

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide (CID 19149115) is N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide is COc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is XGEMHARFBBEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-27-12-8-6-11(7-9-12)23-16-15(20)17(22-10-21-16)24-25-18(26)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 384.83 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide is sourced from PubChem (CID 19149115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).