2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid

C16H17N3O3 — CID 95926488

IUPAC2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1nc(NCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C16H17N3O3/c20-14(21)10-22-15-12-7-4-8-13(12)18-16(19-15)17-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,20,21)(H,17,18,19)
InChIKeyRHRVFXJYJKKCSW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.04
Rot. Bonds6

About 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid

2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid (PubChem CID 95926488) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
PubChem CID95926488
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1nc(NCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C16H17N3O3/c20-14(21)10-22-15-12-7-4-8-13(12)18-16(19-15)17-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,20,21)(H,17,18,19)
InChIKeyRHRVFXJYJKKCSW-UHFFFAOYSA-N
XLogP2.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
CID 95927451
2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]acetic acid
CID 82192802
(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 92856144
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
CID 118205335
4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82461111
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
CID 122058595
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
N-benzyl-8-phenyl-6-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-5-amine
CID 142730540
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide
CID 155666124
methyl 2-(benzylamino)cyclohexene-1-carboxylate
CID 10890178

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid (CID 95926488) is 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid is O=C(O)COc1nc(NCc2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
The InChIKey is RHRVFXJYJKKCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14(21)10-22-15-12-7-4-8-13(12)18-16(19-15)17-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid?
2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid is sourced from PubChem (CID 95926488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).