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

C21H30N6O2 — CID 157030249

IUPAC2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCCN)ccn2)nc2c1CCC2
InChIInChI=1S/C21H30N6O2/c1-21(2,3)26-18(28)13-27(4)20-15-6-5-7-16(15)24-19(25-20)17-12-14(8-10-23-17)29-11-9-22/h8,10,12H,5-7,9,11,13,22H2,1-4H3,(H,26,28)
InChIKeyNQGRWCIYKVZVOR-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.72
Rot. Bonds7

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

2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide (PubChem CID 157030249) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
PubChem CID157030249
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCCN)ccn2)nc2c1CCC2
InChIInChI=1S/C21H30N6O2/c1-21(2,3)26-18(28)13-27(4)20-15-6-5-7-16(15)24-19(25-20)17-12-14(8-10-23-17)29-11-9-22/h8,10,12H,5-7,9,11,13,22H2,1-4H3,(H,26,28)
InChIKeyNQGRWCIYKVZVOR-UHFFFAOYSA-N
XLogP1.72
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.72
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-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide (CID 157030249) is 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCCN)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The InChIKey is NQGRWCIYKVZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-21(2,3)26-18(28)13-27(4)20-15-6-5-7-16(15)24-19(25-20)17-12-14(8-10-23-17)29-11-9-22/h8,10,12H,5-7,9,11,13,22H2,1-4H3,(H,26,28).
What are the key properties of 2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide has a molecular weight of 398.51 g/mol, XLogP of 1.72, 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-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 157030249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).