2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

C18H19ClN6O — CID 73297206

IUPAC2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl
InChIInChI=1S/C18H19ClN6O/c1-11(17(20)26)14-5-3-2-4-12(14)6-7-16-15(19)10-21-18(25-16)24-13-8-22-23-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,26)(H,22,23)(H,21,24,25)
InChIKeyRKVTUBMTXZINFU-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.97
Rot. Bonds7

About 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73297206) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73297206
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl
InChIInChI=1S/C18H19ClN6O/c1-11(17(20)26)14-5-3-2-4-12(14)6-7-16-15(19)10-21-18(25-16)24-13-8-22-23-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,26)(H,22,23)(H,21,24,25)
InChIKeyRKVTUBMTXZINFU-UHFFFAOYSA-N
XLogP2.97
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73297206) is 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is RKVTUBMTXZINFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-11(17(20)26)14-5-3-2-4-12(14)6-7-16-15(19)10-21-18(25-16)24-13-8-22-23-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,26)(H,22,23)(H,21,24,25).
What are the key properties of 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 370.84 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73297206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).