N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine

C20H28N4O — CID 102557991

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCOC1CC(N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C
InChIInChI=1S/C20H28N4O/c1-6-14-12-18(23-19(22-14)15-10-8-9-11-21-15)24(5)16-13-17(25-7-2)20(16,3)4/h8-12,16-17H,6-7,13H2,1-5H3
InChIKeyKPPXIEKDEVTCOE-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.74
Rot. Bonds6

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 102557991) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID102557991
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCOC1CC(N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C
InChIInChI=1S/C20H28N4O/c1-6-14-12-18(23-19(22-14)15-10-8-9-11-21-15)24(5)16-13-17(25-7-2)20(16,3)4/h8-12,16-17H,6-7,13H2,1-5H3
InChIKeyKPPXIEKDEVTCOE-UHFFFAOYSA-N
XLogP3.74
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 102557991) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine is CCOC1CC(N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is KPPXIEKDEVTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-14-12-18(23-19(22-14)15-10-8-9-11-21-15)24(5)16-13-17(25-7-2)20(16,3)4/h8-12,16-17H,6-7,13H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102557991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).