2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C22H32N6O2 — CID 157029775

IUPAC2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN(C)C)ccn2)nc2c1CCC2
InChIInChI=1S/C22H32N6O2/c1-15(2)24-20(29)14-28(5)22-17-7-6-8-18(17)25-21(26-22)19-13-16(9-10-23-19)30-12-11-27(3)4/h9-10,13,15H,6-8,11-12,14H2,1-5H3,(H,24,29)
InChIKeyVZVRDFOJNCLLNZ-UHFFFAOYSA-N
MW412.54 g/mol
LogP1.93
Rot. Bonds9

About 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 157029775) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID157029775
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN(C)C)ccn2)nc2c1CCC2
InChIInChI=1S/C22H32N6O2/c1-15(2)24-20(29)14-28(5)22-17-7-6-8-18(17)25-21(26-22)19-13-16(9-10-23-19)30-12-11-27(3)4/h9-10,13,15H,6-8,11-12,14H2,1-5H3,(H,24,29)
InChIKeyVZVRDFOJNCLLNZ-UHFFFAOYSA-N
XLogP1.93
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 157029775) is 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN(C)C)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is VZVRDFOJNCLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-15(2)24-20(29)14-28(5)22-17-7-6-8-18(17)25-21(26-22)19-13-16(9-10-23-19)30-12-11-27(3)4/h9-10,13,15H,6-8,11-12,14H2,1-5H3,(H,24,29).
What are the key properties of 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 412.54 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 157029775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).