2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol

C15H18N4O2 — CID 166816997

IUPAC2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol
SMILESCNc1nc(-c2cc(OCCO)ccn2)nc2c1CCC2
InChIInChI=1S/C15H18N4O2/c1-16-14-11-3-2-4-12(11)18-15(19-14)13-9-10(5-6-17-13)21-8-7-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,16,18,19)
InChIKeyLEJVZZLXZBPAIL-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.44
Rot. Bonds5

About 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol

2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol (PubChem CID 166816997) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol
PubChem CID166816997
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol
SMILESCNc1nc(-c2cc(OCCO)ccn2)nc2c1CCC2
InChIInChI=1S/C15H18N4O2/c1-16-14-11-3-2-4-12(11)18-15(19-14)13-9-10(5-6-17-13)21-8-7-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,16,18,19)
InChIKeyLEJVZZLXZBPAIL-UHFFFAOYSA-N
XLogP1.44
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol (CID 166816997) is 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol is CNc1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol?
The InChIKey is LEJVZZLXZBPAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-14-11-3-2-4-12(11)18-15(19-14)13-9-10(5-6-17-13)21-8-7-20/h5-6,9,20H,2-4,7-8H2,1H3,(H,16,18,19).
What are the key properties of 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol?
2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol has a molecular weight of 286.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 166816997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).