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'}

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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).