2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

C18H23N5O3 — CID 166823569

IUPAC2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2
InChIInChI=1S/C18H23N5O3/c1-19-16(25)11-23(2)18-13-4-3-5-14(13)21-17(22-18)15-10-12(6-7-20-15)26-9-8-24/h6-7,10,24H,3-5,8-9,11H2,1-2H3,(H,19,25)
InChIKeyNOZIVPCOISGULB-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.58
Rot. Bonds7

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

2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 166823569) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID166823569
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2
InChIInChI=1S/C18H23N5O3/c1-19-16(25)11-23(2)18-13-4-3-5-14(13)21-17(22-18)15-10-12(6-7-20-15)26-9-8-24/h6-7,10,24H,3-5,8-9,11H2,1-2H3,(H,19,25)
InChIKeyNOZIVPCOISGULB-UHFFFAOYSA-N
XLogP0.58
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (CID 166823569) is 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is NOZIVPCOISGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-19-16(25)11-23(2)18-13-4-3-5-14(13)21-17(22-18)15-10-12(6-7-20-15)26-9-8-24/h6-7,10,24H,3-5,8-9,11H2,1-2H3,(H,19,25).
What are the key properties of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 357.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 166823569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).