N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide

C17H17N7O3 — CID 19152033

IUPACN'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)c1ccco1
InChIInChI=1S/C17H17N7O3/c18-14-15(22-21-13(25)9-11-5-2-1-3-6-11)19-10-20-16(14)23-24-17(26)12-7-4-8-27-12/h1-8,10H,9,18H2,(H,21,25)(H,24,26)(H2,19,20,22,23)
InChIKeyBBDJFKYMBPFHNK-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.09
Rot. Bonds7

About N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19152033) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19152033
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)c1ccco1
InChIInChI=1S/C17H17N7O3/c18-14-15(22-21-13(25)9-11-5-2-1-3-6-11)19-10-20-16(14)23-24-17(26)12-7-4-8-27-12/h1-8,10H,9,18H2,(H,21,25)(H,24,26)(H2,19,20,22,23)
InChIKeyBBDJFKYMBPFHNK-UHFFFAOYSA-N
XLogP1.09
TPSA147.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide (CID 19152033) is N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide is Nc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)c1ccco1.
What is the InChIKey of N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is BBDJFKYMBPFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c18-14-15(22-21-13(25)9-11-5-2-1-3-6-11)19-10-20-16(14)23-24-17(26)12-7-4-8-27-12/h1-8,10H,9,18H2,(H,21,25)(H,24,26)(H2,19,20,22,23).
What are the key properties of N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 367.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).