2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

C20H24N6O — CID 73294947

IUPAC2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O
InChIInChI=1S/C20H24N6O/c1-13-10-22-20(24-16-11-23-26(3)12-16)25-18(13)9-8-15-6-4-5-7-17(15)14(2)19(21)27/h4-7,10-12,14H,8-9H2,1-3H3,(H2,21,27)(H,22,24,25)
InChIKeyJRSJILWBSZUJGY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.64
Rot. Bonds7

About 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73294947) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73294947
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O
InChIInChI=1S/C20H24N6O/c1-13-10-22-20(24-16-11-23-26(3)12-16)25-18(13)9-8-15-6-4-5-7-17(15)14(2)19(21)27/h4-7,10-12,14H,8-9H2,1-3H3,(H2,21,27)(H,22,24,25)
InChIKeyJRSJILWBSZUJGY-UHFFFAOYSA-N
XLogP2.64
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.64
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-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73294947) is 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O.
What is the InChIKey of 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is JRSJILWBSZUJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-10-22-20(24-16-11-23-26(3)12-16)25-18(13)9-8-15-6-4-5-7-17(15)14(2)19(21)27/h4-7,10-12,14H,8-9H2,1-3H3,(H2,21,27)(H,22,24,25).
What are the key properties of 2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.64, 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-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).