2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide

C23H23ClN4O2 — CID 90109572

IUPAC2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C23H23ClN4O2/c24-17-4-1-3-15(12-17)22-27-20-6-2-5-19(20)23(28-22)26-18-9-7-14(8-10-18)11-16(13-29)21(25)30/h1,3-4,7-10,12,16,29H,2,5-6,11,13H2,(H2,25,30)(H,26,27,28)
InChIKeyUYVZZGVJCUKZMH-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.67
Rot. Bonds7

About 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide

2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide (PubChem CID 90109572) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide
PubChem CID90109572
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C23H23ClN4O2/c24-17-4-1-3-15(12-17)22-27-20-6-2-5-19(20)23(28-22)26-18-9-7-14(8-10-18)11-16(13-29)21(25)30/h1,3-4,7-10,12,16,29H,2,5-6,11,13H2,(H2,25,30)(H,26,27,28)
InChIKeyUYVZZGVJCUKZMH-UHFFFAOYSA-N
XLogP3.67
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide?
The IUPAC name of 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide (CID 90109572) is 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide is NC(=O)C(CO)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide?
The InChIKey is UYVZZGVJCUKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-17-4-1-3-15(12-17)22-27-20-6-2-5-19(20)23(28-22)26-18-9-7-14(8-10-18)11-16(13-29)21(25)30/h1,3-4,7-10,12,16,29H,2,5-6,11,13H2,(H2,25,30)(H,26,27,28).
What are the key properties of 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide?
2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide has a molecular weight of 422.92 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]methyl]-3-hydroxypropanamide is sourced from PubChem (CID 90109572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).