2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide

C20H24N4O — CID 90110878

IUPAC2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C20H24N4O/c21-18(25)12-13-8-10-15(11-9-13)22-20-16-6-3-7-17(16)23-19(24-20)14-4-1-2-5-14/h8-11,14H,1-7,12H2,(H2,21,25)(H,22,23,24)
InChIKeyOKUMEOFBBIPPGM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide

2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 90110878) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID90110878
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C20H24N4O/c21-18(25)12-13-8-10-15(11-9-13)22-20-16-6-3-7-17(16)23-19(24-20)14-4-1-2-5-14/h8-11,14H,1-7,12H2,(H2,21,25)(H,22,23,24)
InChIKeyOKUMEOFBBIPPGM-UHFFFAOYSA-N
XLogP3.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 90110878) is 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is OKUMEOFBBIPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-18(25)12-13-8-10-15(11-9-13)22-20-16-6-3-7-17(16)23-19(24-20)14-4-1-2-5-14/h8-11,14H,1-7,12H2,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 90110878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).