2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide

C26H36N6O2 — CID 143340704

IUPAC2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide
SMILESCCCN(CCC)c1nc(OCCC2=CC=CCN2C)cc(C(=O)NNc2cccc(C)c2)n1
InChIInChI=1S/C26H36N6O2/c1-5-14-32(15-6-2)26-27-23(25(33)30-29-21-11-9-10-20(3)18-21)19-24(28-26)34-17-13-22-12-7-8-16-31(22)4/h7-12,18-19,29H,5-6,13-17H2,1-4H3,(H,30,33)
InChIKeyMLNFACNYWAGBMW-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.32
Rot. Bonds12

About 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide

2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide (PubChem CID 143340704) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide
PubChem CID143340704
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide
SMILESCCCN(CCC)c1nc(OCCC2=CC=CCN2C)cc(C(=O)NNc2cccc(C)c2)n1
InChIInChI=1S/C26H36N6O2/c1-5-14-32(15-6-2)26-27-23(25(33)30-29-21-11-9-10-20(3)18-21)19-24(28-26)34-17-13-22-12-7-8-16-31(22)4/h7-12,18-19,29H,5-6,13-17H2,1-4H3,(H,30,33)
InChIKeyMLNFACNYWAGBMW-UHFFFAOYSA-N
XLogP4.32
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide?
The IUPAC name of 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide (CID 143340704) is 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide.
What is the SMILES notation for 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide?
The canonical SMILES for 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide is CCCN(CCC)c1nc(OCCC2=CC=CCN2C)cc(C(=O)NNc2cccc(C)c2)n1.
What is the InChIKey of 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide?
The InChIKey is MLNFACNYWAGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-14-32(15-6-2)26-27-23(25(33)30-29-21-11-9-10-20(3)18-21)19-24(28-26)34-17-13-22-12-7-8-16-31(22)4/h7-12,18-19,29H,5-6,13-17H2,1-4H3,(H,30,33).
What are the key properties of 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide?
2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide has a molecular weight of 464.61 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide is sourced from PubChem (CID 143340704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).