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

C19H21ClN6O — CID 73297207

IUPAC2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl
InChIInChI=1S/C19H21ClN6O/c1-12(18(21)27)15-6-4-3-5-13(15)7-8-17-16(20)10-22-19(25-17)24-14-9-23-26(2)11-14/h3-6,9-12H,7-8H2,1-2H3,(H2,21,27)(H,22,24,25)
InChIKeyJAHMDTQVHMQVJF-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.98
Rot. Bonds7

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

2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73297207) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73297207
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl
InChIInChI=1S/C19H21ClN6O/c1-12(18(21)27)15-6-4-3-5-13(15)7-8-17-16(20)10-22-19(25-17)24-14-9-23-26(2)11-14/h3-6,9-12H,7-8H2,1-2H3,(H2,21,27)(H,22,24,25)
InChIKeyJAHMDTQVHMQVJF-UHFFFAOYSA-N
XLogP2.98
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.98
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-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73297207) is 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is JAHMDTQVHMQVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-12(18(21)27)15-6-4-3-5-13(15)7-8-17-16(20)10-22-19(25-17)24-14-9-23-26(2)11-14/h3-6,9-12H,7-8H2,1-2H3,(H2,21,27)(H,22,24,25).
What are the key properties of 2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 384.87 g/mol, XLogP of 2.98, 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-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73297207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).