N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide

C14H17N5O — CID 61224912

IUPACN'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
SMILESCc1cc(N(CCC(N)=NO)c2ccccc2)ncn1
InChIInChI=1S/C14H17N5O/c1-11-9-14(17-10-16-11)19(8-7-13(15)18-20)12-5-3-2-4-6-12/h2-6,9-10,20H,7-8H2,1H3,(H2,15,18)
InChIKeyYZSYZDGPNXJVSF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds5

About N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide

N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide (PubChem CID 61224912) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
PubChem CID61224912
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
SMILESCc1cc(N(CCC(N)=NO)c2ccccc2)ncn1
InChIInChI=1S/C14H17N5O/c1-11-9-14(17-10-16-11)19(8-7-13(15)18-20)12-5-3-2-4-6-12/h2-6,9-10,20H,7-8H2,1H3,(H2,15,18)
InChIKeyYZSYZDGPNXJVSF-UHFFFAOYSA-N
XLogP2.06
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
CID 43101626
N'-hydroxy-3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648342
N'-hydroxy-3-[N-(1,3,4-thiadiazol-2-yl)anilino]propanimidamide
CID 77021390
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
CID 55166554
N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570749
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide
CID 77064299
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
3-(N-(6-methyl-2-pyridinyl)anilino)propanethioamide
CID 60875664
N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide
CID 77034391

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide (CID 61224912) is N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide is Cc1cc(N(CCC(N)=NO)c2ccccc2)ncn1.
What is the InChIKey of N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide?
The InChIKey is YZSYZDGPNXJVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-9-14(17-10-16-11)19(8-7-13(15)18-20)12-5-3-2-4-6-12/h2-6,9-10,20H,7-8H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide?
N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide has a molecular weight of 271.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide is sourced from PubChem (CID 61224912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).