N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide

C15H20N6O2 — CID 19144208

IUPACN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C15H20N6O2/c1-23-9-5-8-17-13-12(16)14(19-10-18-13)20-21-15(22)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyHQCBKGISEJKQPX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.26
Rot. Bonds8

About N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide (PubChem CID 19144208) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
PubChem CID19144208
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC NameN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C15H20N6O2/c1-23-9-5-8-17-13-12(16)14(19-10-18-13)20-21-15(22)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyHQCBKGISEJKQPX-UHFFFAOYSA-N
XLogP1.26
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19150447
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 19142733
4-fluoro-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526537
4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526549
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22526543
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide (CID 19144208) is N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide is COCCCNc1ncnc(NNC(=O)c2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is HQCBKGISEJKQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-23-9-5-8-17-13-12(16)14(19-10-18-13)20-21-15(22)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,21,22)(H2,17,18,19,20).
What are the key properties of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 316.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19144208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).