N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide

C13H18N6O3 — CID 19144226

IUPACN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccco2)c1N
InChIInChI=1S/C13H18N6O3/c1-21-6-3-5-15-11-10(14)12(17-8-16-11)18-19-13(20)9-4-2-7-22-9/h2,4,7-8H,3,5-6,14H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyDEVSQAUQLHMMRK-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.86
Rot. Bonds8

About N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19144226) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19144226
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccco2)c1N
InChIInChI=1S/C13H18N6O3/c1-21-6-3-5-15-11-10(14)12(17-8-16-11)18-19-13(20)9-4-2-7-22-9/h2,4,7-8H,3,5-6,14H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyDEVSQAUQLHMMRK-UHFFFAOYSA-N
XLogP0.86
TPSA127.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22526553
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19150447
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide (CID 19144226) is N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide is COCCCNc1ncnc(NNC(=O)c2ccco2)c1N.
What is the InChIKey of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is DEVSQAUQLHMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-21-6-3-5-15-11-10(14)12(17-8-16-11)18-19-13(20)9-4-2-7-22-9/h2,4,7-8H,3,5-6,14H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 306.33 g/mol, XLogP of 0.86, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19144226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).