2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

C19H19ClN6O — CID 73294783

IUPAC2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccnnc2)ncc1Cl
InChIInChI=1S/C19H19ClN6O/c1-12(18(21)27)15-5-3-2-4-13(15)6-7-17-16(20)11-22-19(26-17)25-14-8-9-23-24-10-14/h2-5,8-12H,6-7H2,1H3,(H2,21,27)(H,22,23,25,26)
InChIKeyJGVFAQMWQRTRLJ-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.04
Rot. Bonds7

About 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73294783) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73294783
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccnnc2)ncc1Cl
InChIInChI=1S/C19H19ClN6O/c1-12(18(21)27)15-5-3-2-4-13(15)6-7-17-16(20)11-22-19(26-17)25-14-8-9-23-24-10-14/h2-5,8-12H,6-7H2,1H3,(H2,21,27)(H,22,23,25,26)
InChIKeyJGVFAQMWQRTRLJ-UHFFFAOYSA-N
XLogP3.04
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73294783) is 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2ccnnc2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is JGVFAQMWQRTRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-12(18(21)27)15-5-3-2-4-13(15)6-7-17-16(20)11-22-19(26-17)25-14-8-9-23-24-10-14/h2-5,8-12H,6-7H2,1H3,(H2,21,27)(H,22,23,25,26).
What are the key properties of 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 382.86 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73294783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).