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

C19H16N8O — CID 19141332

IUPACN'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESN#CCN(CC#N)c1ncnc(NNC(=O)c2cccc3ccccc23)c1N
InChIInChI=1S/C19H16N8O/c20-8-10-27(11-9-21)18-16(22)17(23-12-24-18)25-26-19(28)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,10-11,22H2,(H,26,28)(H,23,24,25)
InChIKeyAVVFNMZRHMRVIK-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.82
Rot. Bonds6

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

N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide (PubChem CID 19141332) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
PubChem CID19141332
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESN#CCN(CC#N)c1ncnc(NNC(=O)c2cccc3ccccc23)c1N
InChIInChI=1S/C19H16N8O/c20-8-10-27(11-9-21)18-16(22)17(23-12-24-18)25-26-19(28)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,10-11,22H2,(H,26,28)(H,23,24,25)
InChIKeyAVVFNMZRHMRVIK-UHFFFAOYSA-N
XLogP1.82
TPSA143.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19151642
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22546682
N'-[6-[bis(cyanomethyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23493345
2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 19141292
2-[[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 19141284
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23478055
3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141426
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22536366
N'-[5-amino-6-(dibenzylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19136425

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide (CID 19141332) is N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide is N#CCN(CC#N)c1ncnc(NNC(=O)c2cccc3ccccc23)c1N.
What is the InChIKey of N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The InChIKey is AVVFNMZRHMRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c20-8-10-27(11-9-21)18-16(22)17(23-12-24-18)25-26-19(28)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,10-11,22H2,(H,26,28)(H,23,24,25).
What are the key properties of N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide has a molecular weight of 372.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 19141332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).