N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide

C13H13N5O2 — CID 155673746

IUPACN-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(NN=Cc2cccc(O)c2)ncn1
InChIInChI=1S/C13H13N5O2/c1-9(19)17-12-6-13(15-8-14-12)18-16-7-10-3-2-4-11(20)5-10/h2-8,20H,1H3,(H2,14,15,17,18,19)
InChIKeySYFMYPHKYSCYQI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.59
Rot. Bonds4

About N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide

N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide (PubChem CID 155673746) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
PubChem CID155673746
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(NN=Cc2cccc(O)c2)ncn1
InChIInChI=1S/C13H13N5O2/c1-9(19)17-12-6-13(15-8-14-12)18-16-7-10-3-2-4-11(20)5-10/h2-8,20H,1H3,(H2,14,15,17,18,19)
InChIKeySYFMYPHKYSCYQI-UHFFFAOYSA-N
XLogP1.59
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 155673726
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
CID 86279724
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 39869221

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide (CID 155673746) is N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(NN=Cc2cccc(O)c2)ncn1.
What is the InChIKey of N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide?
The InChIKey is SYFMYPHKYSCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9(19)17-12-6-13(15-8-14-12)18-16-7-10-3-2-4-11(20)5-10/h2-8,20H,1H3,(H2,14,15,17,18,19).
What are the key properties of N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide?
N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 155673746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).