2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide

C25H30N6O3 — CID 157030157

IUPAC2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nc(-c3cc(OCCO)ccn3)nc3c2C(C)(C)CC3)cn1
InChIInChI=1S/C25H30N6O3/c1-16-5-6-17(14-27-16)28-21(33)15-31(4)24-22-19(7-9-25(22,2)3)29-23(30-24)20-13-18(8-10-26-20)34-12-11-32/h5-6,8,10,13-14,32H,7,9,11-12,15H2,1-4H3,(H,28,33)
InChIKeyXUUTWNYFZMEKRP-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.91
Rot. Bonds8

About 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide

2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide (PubChem CID 157030157) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide
PubChem CID157030157
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nc(-c3cc(OCCO)ccn3)nc3c2C(C)(C)CC3)cn1
InChIInChI=1S/C25H30N6O3/c1-16-5-6-17(14-27-16)28-21(33)15-31(4)24-22-19(7-9-25(22,2)3)29-23(30-24)20-13-18(8-10-26-20)34-12-11-32/h5-6,8,10,13-14,32H,7,9,11-12,15H2,1-4H3,(H,28,33)
InChIKeyXUUTWNYFZMEKRP-UHFFFAOYSA-N
XLogP2.91
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide (CID 157030157) is 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(NC(=O)CN(C)c2nc(-c3cc(OCCO)ccn3)nc3c2C(C)(C)CC3)cn1.
What is the InChIKey of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is XUUTWNYFZMEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-5-6-17(14-27-16)28-21(33)15-31(4)24-22-19(7-9-25(22,2)3)29-23(30-24)20-13-18(8-10-26-20)34-12-11-32/h5-6,8,10,13-14,32H,7,9,11-12,15H2,1-4H3,(H,28,33).
What are the key properties of 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide?
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 157030157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).